CID 304384

5-chloro-2-hydroxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H4Cl2O3S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)O
InChI
InChI=1S/C6H4Cl2O3S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3,9H
InChIKey
ZFZMINYPHAEJGW-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

225.92583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.93311 136.2
[M+Na]+ 248.91505 147.8
[M-H]- 224.91855 139.6
[M+NH4]+ 243.95965 156.0
[M+K]+ 264.88899 142.5
[M+H-H2O]+ 208.92309 133.9
[M+HCOO]- 270.92403 145.0
[M+CH3COO]- 284.93968 179.3
[M+Na-2H]- 246.90050 140.7
[M]+ 225.92528 141.3
[M]- 225.92638 141.3
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