CID 5105980

3'-bromo-biphenyl-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.97858 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98586 152.1
[M+Na]+ 298.96780 163.1
[M-H]- 274.97130 160.3
[M+NH4]+ 294.01240 171.1
[M+K]+ 314.94174 151.4
[M+H-H2O]+ 258.97584 151.8
[M+HCOO]- 320.97678 172.4
[M+CH3COO]- 334.99243 192.6
[M+Na-2H]- 296.95325 158.4
[M]+ 275.97803 169.9
[M]- 275.97913 169.9
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.