CID 324956

Heptadecafluoro-1-octanesulfonyl chloride

Structural Information

Molecular Formula
C8ClF17O2S
SMILES
C(C(C(C(C(F)(F)S(=O)(=O)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8ClF17O2S/c9-29(27,28)8(25,26)6(20,21)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)7(22,23)24
InChIKey
FJHZKRYJOILIGD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

155
Patents

517.9036 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.91088 165.5
[M+Na]+ 540.89282 170.3
[M-H]- 516.89632 172.6
[M+NH4]+ 535.93742 176.0
[M+K]+ 556.86676 179.2
[M+H-H2O]+ 500.90086 171.3
[M+HCOO]- 562.90180 187.5
[M+CH3COO]- 576.91745 234.0
[M+Na-2H]- 538.87827 165.6
[M]+ 517.90305 169.7
[M]- 517.90415 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe