CID 3539090

2-phenyl-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)C2=NC=C(N2)C=O
InChI
InChI=1S/C10H8N2O/c13-7-9-6-11-10(12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKey
LFKJFIOTRHYONM-UHFFFAOYSA-N
Compound name
2-phenyl-1H-imidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

464
Patents

172.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.3
[M+Na]+ 195.05288 143.5
[M-H]- 171.05638 137.4
[M+NH4]+ 190.09748 152.9
[M+K]+ 211.02682 139.5
[M+H-H2O]+ 155.06092 126.7
[M+HCOO]- 217.06186 157.2
[M+CH3COO]- 231.07751 147.7
[M+Na-2H]- 193.03833 140.8
[M]+ 172.06311 133.1
[M]- 172.06421 133.1
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