CID 853150

2-biphenylenecarboxylic acid

Structural Information

Molecular Formula
C13H8O2
SMILES
C1=CC=C2C(=C1)C3=C2C=C(C=C3)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

61
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 136.6
[M+Na]+ 219.04165 145.6
[M-H]- 195.04515 141.5
[M+NH4]+ 214.08625 151.2
[M+K]+ 235.01559 144.9
[M+H-H2O]+ 179.04969 126.0
[M+HCOO]- 241.05063 157.3
[M+CH3COO]- 255.06628 187.4
[M+Na-2H]- 217.02710 145.1
[M]+ 196.05188 147.0
[M]- 196.05298 147.0
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

patents stripe