Einecs 281-724-6 (C22H12F34O2)

Structural Information

Molecular Formula

SMILES

C(CCOC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)COC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F

InChI

InChI=1S/C22H12F34O2/c23-5(9(29,30)15(41,42)19(49,50)21(53,54)17(45,46)11(33,34)7(25)26)13(37,38)57-3-1-2-4-58-14(39,40)6(24)10(31,32)16(43,44)20(51,52)22(55,56)18(47,48)12(35,36)8(27)28/h5-8H,1-4H2

InChIKey

RVPLVNROUITCKL-UHFFFAOYSA-N

Compound name

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[4-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)butoxy]nonane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	955.036676	244.0
[M+Na]+	977.018618	246.1
[M-H]-	953.022124	256.4
[M+NH4]+	972.063223	258.0
[M+K]+	992.992558	262.9
[M+H-H2O]+	937.026660	232.9
[M+HCOO]-	999.027601	251.9
[M+CH3COO]-	1013.043251	282.2
[M+Na-2H]-	975.004066	245.1
[M]+	954.02885142	238.6
[M]-	954.02994858	238.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

955.036676

244.0

[M+Na]+

977.018618

246.1

[M-H]-

953.022124

256.4

[M+NH4]+

972.063223

258.0

[M+K]+

992.992558

262.9

[M+H-H2O]+

937.026660

232.9

[M+HCOO]-

999.027601

251.9

[M+CH3COO]-

1013.043251

282.2

[M+Na-2H]-

975.004066

245.1

[M]+

954.02885142

238.6

[M]-

954.02994858

238.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 281-724-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe