CID 15725375

2,4-difluoro-3-methylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O2S
SMILES
CC1=C(C=CC(=C1F)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5ClF2O2S/c1-4-5(9)2-3-6(7(4)10)13(8,11)12/h2-3H,1H3
InChIKey
QIXBRAHDJLFTRQ-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

225.96669 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.973966 134.8
[M+Na]+ 248.955908 147.3
[M-H]- 224.959414 137.4
[M+NH4]+ 244.000513 155.1
[M+K]+ 264.929848 142.5
[M+H-H2O]+ 208.963950 129.5
[M+HCOO]- 270.964891 147.4
[M+CH3COO]- 284.980541 184.6
[M+Na-2H]- 246.941356 138.0
[M]+ 225.96614142 138.0
[M]- 225.96723858 138.0
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