CID 853150

2-biphenylenecarboxylic acid

Structural Information

Molecular Formula
C13H8O2
SMILES
C1=CC2=C3C=CC(=CC3=C2C=C1)C(=O)O
InChI
InChI=1S/C13H8O2/c14-13(15)8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,(H,14,15)
InChIKey
ZREZLKUCHWESDU-UHFFFAOYSA-N
Compound name
biphenylene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

196.05243 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05971 136.0
[M+Na]+ 219.04165 147.0
[M-H]- 195.04515 141.6
[M+NH4]+ 214.08625 150.9
[M+K]+ 235.01559 146.0
[M+H-H2O]+ 179.04969 125.3
[M+HCOO]- 241.05063 159.5
[M+CH3COO]- 255.06628 187.0
[M+Na-2H]- 217.02710 146.3
[M]+ 196.05188 149.2
[M]- 196.05298 149.2
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.