CID 18525934

868755-70-8

Structural Information

Molecular Formula
C7H5Cl2FO2S
SMILES
CC1=CC(=C(C=C1Cl)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl2FO2S/c1-4-2-7(13(9,11)12)6(10)3-5(4)8/h2-3H,1H3
InChIKey
HHPBVNJGNFMCKA-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-5-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

241.93713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94441 138.3
[M+Na]+ 264.92635 150.9
[M-H]- 240.92985 141.8
[M+NH4]+ 259.97095 158.5
[M+K]+ 280.90029 145.3
[M+H-H2O]+ 224.93439 134.8
[M+HCOO]- 286.93533 146.9
[M+CH3COO]- 300.95098 186.5
[M+Na-2H]- 262.91180 141.4
[M]+ 241.93658 143.5
[M]- 241.93768 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