CID 50998393

2-chloro-3,6-difluorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl2F2O2S
SMILES
C1=CC(=C(C(=C1F)S(=O)(=O)Cl)Cl)F
InChI
InChI=1S/C6H2Cl2F2O2S/c7-5-3(9)1-2-4(10)6(5)13(8,11)12/h1-2H
InChIKey
XIBTVVMBHTYRAL-UHFFFAOYSA-N
Compound name
2-chloro-3,6-difluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.91206 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.91934 135.3
[M+Na]+ 268.90128 148.3
[M-H]- 244.90478 137.5
[M+NH4]+ 263.94588 155.1
[M+K]+ 284.87522 142.5
[M+H-H2O]+ 228.90932 131.0
[M+HCOO]- 290.91026 143.2
[M+CH3COO]- 304.92591 186.3
[M+Na-2H]- 266.88673 138.4
[M]+ 245.91151 139.0
[M]- 245.91261 139.0
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

No patent data available for this compound.