CID 56240

1-(2-phenyl-1h-benzimidazol-5-yl)ethanone

Structural Information

Molecular Formula
C15H12N2O
SMILES
CC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O/c1-10(18)12-7-8-13-14(9-12)17-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKey
ZACVEKOHHBZAQJ-UHFFFAOYSA-N
Compound name
1-(2-phenyl-3H-benzimidazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

236.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 152.1
[M+Na]+ 259.08418 162.0
[M-H]- 235.08768 156.6
[M+NH4]+ 254.12878 169.2
[M+K]+ 275.05812 156.3
[M+H-H2O]+ 219.09222 144.0
[M+HCOO]- 281.09316 173.4
[M+CH3COO]- 295.10881 164.7
[M+Na-2H]- 257.06963 157.8
[M]+ 236.09441 152.6
[M]- 236.09551 152.6
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