PubChemLite - Einecs 277-790-0 (C19H9F27O2)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C19H9F27O2/c1-5(2)6(47)48-4-3-7(20,21)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)16(37,38)14(33,34)12(29,30)10(25,26)8(22,18(41,42)43)19(44,45)46/h1,3-4H2,2H3

InChIKey

NZSKSDOUVOVFHC-UHFFFAOYSA-N

Compound name

[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-tetracosafluoro-13-(trifluoromethyl)tetradecyl] 2-methylprop-2-enoate

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]+	783.02443	218.9
[M+Na]+	805.00637	222.4
[M-H]-	781.00987	232.3
[M+NH4]+	800.05097	233.4
[M+K]+	820.98031	238.0
[M+H-H2O]+	765.01441	206.0
[M+HCOO]-	827.01535	233.0
[M+CH3COO]-	841.03100	270.4
[M+Na-2H]-	802.99182	219.5
[M]+	782.01660	217.1
[M]-	782.01770	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

783.02443

218.9

[M+Na]+

805.00637

222.4

[M-H]-

781.00987

232.3

[M+NH4]+

800.05097

233.4

[M+K]+

820.98031

238.0

[M+H-H2O]+

765.01441

206.0

[M+HCOO]-

827.01535

233.0

[M+CH3COO]-

841.03100

270.4

[M+Na-2H]-

802.99182

219.5

[M]+

782.01660

217.1

[M]-

782.01770

217.1

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

Einecs 277-790-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe