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]+ 253.097146 155.6
[M+Na]+ 275.079088 165.9
[M-H]- 251.082594 159.2
[M+NH4]+ 270.123693 171.7
[M+K]+ 291.053028 160.0
[M+H-H2O]+ 235.087130 147.9
[M+HCOO]- 297.088071 175.6
[M+CH3COO]- 311.103721 167.8
[M+Na-2H]- 273.064536 160.3
[M]+ 252.08932142 156.2
[M]- 252.09041858 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