CID 13629283

37174-65-5

Structural Information

Molecular Formula
C13H9BrO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C13H9BrO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)
InChIKey
NTCVMUBIEDDKML-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

275.97858 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98586 149.3
[M+Na]+ 298.96780 154.6
[M+NH4]+ 294.01240 154.4
[M+K]+ 314.94174 153.8
[M-H]- 274.97130 151.7
[M+Na-2H]- 296.95325 155.3
[M]+ 275.97803 149.7
[M]- 275.97913 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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