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

175
Patents

217.04068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04796 147.3
[M+Na]+ 240.02990 159.9
[M-H]- 216.03340 149.1
[M+NH4]+ 235.07450 163.3
[M+K]+ 256.00384 152.7
[M+H-H2O]+ 200.03794 133.2
[M+HCOO]- 262.03888 161.2
[M+CH3COO]- 276.05453 158.5
[M+Na-2H]- 238.01535 150.5
[M]+ 217.04013 142.7
[M]- 217.04123 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.