CID 5268800

63899-32-1

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C13H10N2O2/c16-8-5-6-9(12(17)7-8)13-14-10-3-1-2-4-11(10)15-13/h1-7,16-17H,(H,14,15)
InChIKey
MTDSHRDWHUXPQH-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

226.07423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 147.3
[M+Na]+ 249.06345 158.1
[M-H]- 225.06695 149.8
[M+NH4]+ 244.10805 163.9
[M+K]+ 265.03739 151.9
[M+H-H2O]+ 209.07149 140.1
[M+HCOO]- 271.07243 167.3
[M+CH3COO]- 285.08808 159.7
[M+Na-2H]- 247.04890 153.8
[M]+ 226.07368 146.7
[M]- 226.07478 146.7
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