Dtxsid70895506 (C18H10F26I2)

Structural Information

Molecular Formula

SMILES

C(CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I

InChI

InChI=1S/C18H10F26I2/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)3-5(45)1-2-6(46)4-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h5-6H,1-4H2

InChIKey

YTTJEDNFUNDSGW-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane

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]+	974.852976	279.1
[M+Na]+	996.834918	282.2
[M-H]-	972.838424	287.0
[M+NH4]+	991.879523	289.5
[M+K]+	1012.808858	294.7
[M+H-H2O]+	956.842960	268.4
[M+HCOO]-	1018.843901	288.6
[M+CH3COO]-	1032.859551	271.4
[M+Na-2H]-	994.820366	275.8
[M]+	973.84515142	274.2
[M]-	973.84624858	274.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

974.852976

279.1

[M+Na]+

996.834918

282.2

[M-H]-

972.838424

287.0

[M+NH4]+

991.879523

289.5

[M+K]+

1012.808858

294.7

[M+H-H2O]+

956.842960

268.4

[M+HCOO]-

1018.843901

288.6

[M+CH3COO]-

1032.859551

271.4

[M+Na-2H]-

994.820366

275.8

[M]+

973.84515142

274.2

[M]-

973.84624858

274.2

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

Dtxsid70895506

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe