CID 54593512

3-chloro-5-(chlorosulfonyl)-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4Cl2O5S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)Cl)O)Cl)C(=O)O
InChI
InChI=1S/C7H4Cl2O5S/c8-4-1-3(7(11)12)2-5(6(4)10)15(9,13)14/h1-2,10H,(H,11,12)
InChIKey
AWRFXYMSFNUBMN-UHFFFAOYSA-N
Compound name
3-chloro-5-chlorosulfonyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

269.91565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.92293 143.2
[M+Na]+ 292.90487 154.2
[M-H]- 268.90837 145.5
[M+NH4]+ 287.94947 160.4
[M+K]+ 308.87881 149.0
[M+H-H2O]+ 252.91291 141.2
[M+HCOO]- 314.91385 149.9
[M+CH3COO]- 328.92950 185.3
[M+Na-2H]- 290.89032 145.8
[M]+ 269.91510 148.9
[M]- 269.91620 148.9
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