CID 11436458

(2-chloro-4-fluorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl2FO2S
SMILES
C1=CC(=C(C=C1F)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl2FO2S/c8-7-3-6(10)2-1-5(7)4-13(9,11)12/h1-3H,4H2
InChIKey
CGJQTABGNOEWSS-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.93713 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94441 139.2
[M+Na]+ 264.92635 151.0
[M-H]- 240.92985 142.3
[M+NH4]+ 259.97095 159.0
[M+K]+ 280.90029 145.3
[M+H-H2O]+ 224.93439 135.4
[M+HCOO]- 286.93533 147.8
[M+CH3COO]- 300.95098 185.4
[M+Na-2H]- 262.91180 142.8
[M]+ 241.93658 143.9
[M]- 241.93768 143.9
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

patents stripe