CID 648179

82326-53-2

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)
InChIKey
CGVCBANYMPJILL-UHFFFAOYSA-N
Compound name
3H-benzimidazol-5-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

38
Patents

222.07932 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08660 147.2
[M+Na]+ 245.06854 156.7
[M-H]- 221.07204 151.5
[M+NH4]+ 240.11314 164.6
[M+K]+ 261.04248 151.2
[M+H-H2O]+ 205.07658 139.1
[M+HCOO]- 267.07752 168.9
[M+CH3COO]- 281.09317 159.9
[M+Na-2H]- 243.05399 154.3
[M]+ 222.07877 147.0
[M]- 222.07987 147.0
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