CID 53221800

3-bromo-5-(4-carboxyphenyl)phenol

Structural Information

Molecular Formula
C13H9BrO3
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)Br)O)C(=O)O
InChI
InChI=1S/C13H9BrO3/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7,15H,(H,16,17)
InChIKey
GFLRKQGGLVBGNL-UHFFFAOYSA-N
Compound name
4-(3-bromo-5-hydroxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9735 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98078 155.2
[M+Na]+ 314.96272 166.3
[M-H]- 290.96622 162.3
[M+NH4]+ 310.00732 173.0
[M+K]+ 330.93666 154.3
[M+H-H2O]+ 274.97076 154.7
[M+HCOO]- 336.97170 174.1
[M+CH3COO]- 350.98735 193.4
[M+Na-2H]- 312.94817 160.3
[M]+ 291.97295 172.9
[M]- 291.97405 172.9
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

No patent data available for this compound.