CID 13749030

2-(6-methyl-1h-1,3-benzodiazol-2-yl)benzoic acid

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
NREFEFKHWHPJTO-UHFFFAOYSA-N
Compound name
2-(6-methyl-1H-benzimidazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.6
[M+Na]+ 275.07909 165.9
[M-H]- 251.08259 159.2
[M+NH4]+ 270.12369 171.7
[M+K]+ 291.05303 160.0
[M+H-H2O]+ 235.08713 147.9
[M+HCOO]- 297.08807 175.6
[M+CH3COO]- 311.10372 167.8
[M+Na-2H]- 273.06454 160.3
[M]+ 252.08932 156.2
[M]- 252.09042 156.2
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

patents stripe