CID 50998621

5-chloro-4-fluoro-2-methylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl2FO2S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)Cl)Cl)F
InChI
InChI=1S/C7H5Cl2FO2S/c1-4-2-6(10)5(8)3-7(4)13(9,11)12/h2-3H,1H3
InChIKey
RAYLWLGLEWDHBZ-UHFFFAOYSA-N
Compound name
5-chloro-4-fluoro-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.93713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.944406 138.3
[M+Na]+ 264.926348 150.9
[M-H]- 240.929854 141.8
[M+NH4]+ 259.970953 158.5
[M+K]+ 280.900288 145.3
[M+H-H2O]+ 224.934390 134.8
[M+HCOO]- 286.935331 146.9
[M+CH3COO]- 300.950981 186.5
[M+Na-2H]- 262.911796 141.4
[M]+ 241.93658142 143.5
[M]- 241.93767858 143.5
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