CID 556113

(1h-imidazol-4-yl)(phenyl)methanone

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)C(=O)C2=CN=CN2
InChI
InChI=1S/C10H8N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKey
DECHVIXTYBTMBL-UHFFFAOYSA-N
Compound name
1H-imidazol-5-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

38
Patents

172.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.8
[M+Na]+ 195.05288 142.7
[M-H]- 171.05638 137.7
[M+NH4]+ 190.09748 153.0
[M+K]+ 211.02682 139.2
[M+H-H2O]+ 155.06092 127.0
[M+HCOO]- 217.06186 156.6
[M+CH3COO]- 231.07751 147.7
[M+Na-2H]- 193.03833 140.8
[M]+ 172.06311 132.5
[M]- 172.06421 132.5
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