CID 70026

Pentafluorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6ClF5O2S
SMILES
C1(=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F)F
InChI
InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
InChIKey
UOJCTEGNHXRPKO-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentafluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1015
Patents

265.92276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.930036 135.0
[M+Na]+ 288.911978 149.5
[M-H]- 264.915484 134.1
[M+NH4]+ 283.956583 153.8
[M+K]+ 304.885918 143.7
[M+H-H2O]+ 248.920020 127.3
[M+HCOO]- 310.920961 144.6
[M+CH3COO]- 324.936611 192.5
[M+Na-2H]- 286.897426 135.9
[M]+ 265.92221142 134.9
[M]- 265.92330858 134.9
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