CID 165940719

3-bromo-5-(chlorosulfonyl)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4BrClO5S
SMILES
C1=C(C=C(C(=C1C(=O)O)O)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H4BrClO5S/c8-5-2-3(15(9,13)14)1-4(6(5)10)7(11)12/h1-2,10H,(H,11,12)
InChIKey
SOAPDIPUNKYLFX-UHFFFAOYSA-N
Compound name
3-bromo-5-chlorosulfonyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.86514 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.87242 140.8
[M+Na]+ 336.85436 154.8
[M-H]- 312.85786 145.9
[M+NH4]+ 331.89896 159.6
[M+K]+ 352.82830 141.4
[M+H-H2O]+ 296.86240 142.9
[M+HCOO]- 358.86334 150.5
[M+CH3COO]- 372.87899 190.6
[M+Na-2H]- 334.83981 145.9
[M]+ 313.86459 163.6
[M]- 313.86569 163.6
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.