CID 16767455

(3,5-difluorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O2S
SMILES
C1=C(C=C(C=C1F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey
VJJZLXRMDXUBPP-UHFFFAOYSA-N
Compound name
(3,5-difluorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

225.96669 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.973966 135.7
[M+Na]+ 248.955908 147.4
[M-H]- 224.959414 137.9
[M+NH4]+ 244.000513 155.7
[M+K]+ 264.929848 142.5
[M+H-H2O]+ 208.963950 130.1
[M+HCOO]- 270.964891 148.3
[M+CH3COO]- 284.980541 183.4
[M+Na-2H]- 246.941356 139.5
[M]+ 225.96614142 138.5
[M]- 225.96723858 138.5
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