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

73
Patents

238.07423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 150.7
[M+Na]+ 261.06345 160.6
[M-H]- 237.06695 154.1
[M+NH4]+ 256.10805 167.0
[M+K]+ 277.03739 154.8
[M+H-H2O]+ 221.07149 143.0
[M+HCOO]- 283.07243 171.1
[M+CH3COO]- 297.08808 163.0
[M+Na-2H]- 259.04890 156.7
[M]+ 238.07368 150.5
[M]- 238.07478 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