CID 119685

27619-89-2

Structural Information

Molecular Formula
C8H4ClF13O2S
SMILES
C(CS(=O)(=O)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4ClF13O2S/c9-25(23,24)2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChIKey
NDBZVZPOTNLWLU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

445.94128 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.94856 173.3
[M+Na]+ 468.93050 182.6
[M-H]- 444.93400 159.7
[M+NH4]+ 463.97510 168.0
[M+K]+ 484.90444 177.5
[M+H-H2O]+ 428.93854 160.1
[M+HCOO]- 490.93948 182.0
[M+CH3COO]- 504.95513 222.6
[M+Na-2H]- 466.91595 176.5
[M]+ 445.94073 158.5
[M]- 445.94183 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe