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

42
Patents

225.96669 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97397 143.2
[M+Na]+ 248.95591 155.0
[M+NH4]+ 244.00051 150.3
[M+K]+ 264.92985 147.6
[M-H]- 224.95941 141.6
[M+Na-2H]- 246.94136 147.8
[M]+ 225.96614 145.0
[M]- 225.96724 145.0
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