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

26
Patents

269.91565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.922926 143.2
[M+Na]+ 292.904868 154.2
[M-H]- 268.908374 145.5
[M+NH4]+ 287.949473 160.4
[M+K]+ 308.878808 149.0
[M+H-H2O]+ 252.912910 141.2
[M+HCOO]- 314.913851 149.9
[M+CH3COO]- 328.929501 185.3
[M+Na-2H]- 290.890316 145.8
[M]+ 269.91510142 148.9
[M]- 269.91619858 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