CID 10910992

120118-14-1

Structural Information

Molecular Formula
C11H8ClN3
SMILES
CC1=CC=C(C=C1)C2=C(NC(=N2)C#N)Cl
InChI
InChI=1S/C11H8ClN3/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)14-10/h2-5H,1H3,(H,14,15)
InChIKey
AHLIZUWPYRQFHY-UHFFFAOYSA-N
Compound name
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

176
Patents

217.04068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.047956 147.3
[M+Na]+ 240.029898 159.9
[M-H]- 216.033404 149.1
[M+NH4]+ 235.074503 163.3
[M+K]+ 256.003838 152.7
[M+H-H2O]+ 200.037940 133.2
[M+HCOO]- 262.038881 161.2
[M+CH3COO]- 276.054531 158.5
[M+Na-2H]- 238.015346 150.5
[M]+ 217.04013142 142.7
[M]- 217.04122858 142.7
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