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
1
Annotation Hits

6
References

1012
Patents

265.92276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93004 135.0
[M+Na]+ 288.91198 149.5
[M-H]- 264.91548 134.1
[M+NH4]+ 283.95658 153.8
[M+K]+ 304.88592 143.7
[M+H-H2O]+ 248.92002 127.3
[M+HCOO]- 310.92096 144.6
[M+CH3COO]- 324.93661 192.5
[M+Na-2H]- 286.89743 135.9
[M]+ 265.92221 134.9
[M]- 265.92331 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.