CID 20462856

4-chloro-3-formylbenzenesulfonic acid

Structural Information

Molecular Formula
C7H5ClO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)C=O)Cl
InChI
InChI=1S/C7H5ClO4S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-4H,(H,10,11,12)
InChIKey
FKBTZADMCXPVSF-UHFFFAOYSA-N
Compound name
4-chloro-3-formylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

219.9597 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96698 142.1
[M+Na]+ 242.94892 154.6
[M+NH4]+ 237.99352 149.4
[M+K]+ 258.92286 147.8
[M-H]- 218.95242 141.9
[M+Na-2H]- 240.93437 147.1
[M]+ 219.95915 144.4
[M]- 219.96025 144.4
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