CID 67991

3-(fluorosulfonyl)benzoyl chloride

Structural Information

Molecular Formula
C7H4ClFO3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)Cl
InChI
InChI=1S/C7H4ClFO3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H
InChIKey
ZYZOMPZZWUWKLH-UHFFFAOYSA-N
Compound name
3-fluorosulfonylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

74
Patents

221.95537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.962646 136.2
[M+Na]+ 244.944588 146.8
[M-H]- 220.948094 139.6
[M+NH4]+ 239.989193 156.0
[M+K]+ 260.918528 142.8
[M+H-H2O]+ 204.952630 131.4
[M+HCOO]- 266.953571 149.3
[M+CH3COO]- 280.969221 181.5
[M+Na-2H]- 242.930036 140.3
[M]+ 221.95482142 139.9
[M]- 221.95591858 139.9
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