CID 70026

Pentafluorobenzenesulphonyl 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

1088
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

literature stripe

Patent stripe

patents stripe