CID 76826

3314-30-5

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)C=O
InChI
InChI=1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)
InChIKey
DQOSJWYZDQIMGM-UHFFFAOYSA-N
Compound name
1H-benzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1239
Patents

146.04802 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 126.6
[M+Na]+ 169.03724 140.6
[M+NH4]+ 164.08184 135.2
[M+K]+ 185.01118 135.8
[M-H]- 145.04074 127.5
[M+Na-2H]- 167.02269 133.8
[M]+ 146.04747 128.8
[M]- 146.04857 128.8
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