CID 15099311

5-chloro-2-(4-methylphenyl)-1h-imidazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
CC1=CC=C(C=C1)C2=NC(=C(N2)Cl)C=O
InChI
InChI=1S/C11H9ClN2O/c1-7-2-4-8(5-3-7)11-13-9(6-15)10(12)14-11/h2-6H,1H3,(H,13,14)
InChIKey
PJGPLAVOOBRIFP-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-methylphenyl)-1H-imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04034 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.047616 145.6
[M+Na]+ 243.029558 156.8
[M-H]- 219.033064 149.0
[M+NH4]+ 238.074163 163.7
[M+K]+ 259.003498 150.8
[M+H-H2O]+ 203.037600 138.6
[M+HCOO]- 265.038541 163.3
[M+CH3COO]- 279.054191 184.1
[M+Na-2H]- 241.015006 149.4
[M]+ 220.03979142 147.3
[M]- 220.04088858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.