CID 84657

14813-85-5

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H10N2O/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16)
InChIKey
OLMPQQPQSTVRPB-UHFFFAOYSA-N
Compound name
3-phenyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

106
Patents

210.07932 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 142.9
[M+Na]+ 233.068538 154.1
[M-H]- 209.072044 147.6
[M+NH4]+ 228.113143 161.3
[M+K]+ 249.042478 148.3
[M+H-H2O]+ 193.076580 135.1
[M+HCOO]- 255.077521 165.9
[M+CH3COO]- 269.093171 156.5
[M+Na-2H]- 231.053986 150.9
[M]+ 210.07877142 143.3
[M]- 210.07986858 143.3
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