CID 109325

68391-33-3

Structural Information

Molecular Formula
C7H7ClO4S
SMILES
C1=CC=C(C(=C1)C(O)S(=O)(=O)O)Cl
InChI
InChI=1S/C7H7ClO4S/c8-6-4-2-1-3-5(6)7(9)13(10,11)12/h1-4,7,9H,(H,10,11,12)
InChIKey
FTSIBBNHWZVNTJ-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-hydroxymethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

221.97536 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98264 142.4
[M+Na]+ 244.96458 153.6
[M+NH4]+ 240.00918 149.5
[M+K]+ 260.93852 147.8
[M-H]- 220.96808 141.6
[M+Na-2H]- 242.95003 146.9
[M]+ 221.97481 144.3
[M]- 221.97591 144.3
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

No patent data available for this compound.