CID 737733

4-(1h-1,3-benzodiazol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)C=O
InChI
InChI=1S/C14H10N2O/c17-9-11-5-7-12(8-6-11)16-10-15-13-3-1-2-4-14(13)16/h1-10H
InChIKey
RAYKWSXEKZURTM-UHFFFAOYSA-N
Compound name
4-(benzimidazol-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

222.07932 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.086596 146.9
[M+Na]+ 245.068538 158.1
[M-H]- 221.072044 152.8
[M+NH4]+ 240.113143 165.4
[M+K]+ 261.042478 153.0
[M+H-H2O]+ 205.076580 138.5
[M+HCOO]- 267.077521 171.1
[M+CH3COO]- 281.093171 160.8
[M+Na-2H]- 243.053986 154.8
[M]+ 222.07877142 149.5
[M]- 222.07986858 149.5
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