CID 119686

27619-90-5

Structural Information

Molecular Formula
C10H4ClF17O2S
SMILES
C(CS(=O)(=O)Cl)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/C10H4ClF17O2S/c11-31(29,30)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2
InChIKey
BXLIWKCKMHDVHE-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

545.93494 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.94222 172.9
[M+Na]+ 568.92416 177.4
[M-H]- 544.92766 179.4
[M+NH4]+ 563.96876 183.3
[M+K]+ 584.89810 186.9
[M+H-H2O]+ 528.93220 161.9
[M+HCOO]- 590.93314 194.2
[M+CH3COO]- 604.94879 238.8
[M+Na-2H]- 566.90961 172.1
[M]+ 545.93439 176.9
[M]- 545.93549 176.9
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