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
4
Annotation Hits

0
References

241
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 145.3
[M+Na]+ 240.02990 159.5
[M+NH4]+ 235.07450 150.4
[M+K]+ 256.00384 150.6
[M-H]- 216.03340 140.7
[M+Na-2H]- 238.01535 150.7
[M]+ 217.04013 145.5
[M]- 217.04123 145.5
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

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