CID 2759108

(4-fluorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H6ClFO2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)Cl)F
InChI
InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey
UUQGWVIRPCRTSA-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

504
Patents

207.9761 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98338 134.6
[M+Na]+ 230.96532 145.4
[M-H]- 206.96882 137.9
[M+NH4]+ 226.00992 155.2
[M+K]+ 246.93926 141.0
[M+H-H2O]+ 190.97336 129.7
[M+HCOO]- 252.97430 148.2
[M+CH3COO]- 266.98995 179.5
[M+Na-2H]- 228.95077 139.5
[M]+ 207.97555 138.1
[M]- 207.97665 138.1
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