CID 617230

2-phenyl-1h-1,3-benzodiazole-6-carboxylic acid

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKey
SDDSSZSKEQLSGW-UHFFFAOYSA-N
Compound name
2-phenyl-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

238.07423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.081506 150.7
[M+Na]+ 261.063448 160.6
[M-H]- 237.066954 154.1
[M+NH4]+ 256.108053 167.0
[M+K]+ 277.037388 154.8
[M+H-H2O]+ 221.071490 143.0
[M+HCOO]- 283.072431 171.1
[M+CH3COO]- 297.088081 163.0
[M+Na-2H]- 259.048896 156.7
[M]+ 238.07368142 150.5
[M]- 238.07477858 150.5
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