CID 82114

5-chloro-1-methyl-2-phenyl-1h-imidazole

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CN1C(=CN=C1C2=CC=CC=C2)Cl
InChI
InChI=1S/C10H9ClN2/c1-13-9(11)7-12-10(13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
VRRDPPHOZQOYGA-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-2-phenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.04543 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052706 138.4
[M+Na]+ 215.034648 149.3
[M-H]- 191.038154 142.8
[M+NH4]+ 210.079253 158.1
[M+K]+ 231.008588 144.5
[M+H-H2O]+ 175.042690 130.9
[M+HCOO]- 237.043631 157.5
[M+CH3COO]- 251.059281 152.4
[M+Na-2H]- 213.020096 143.9
[M]+ 192.04488142 140.5
[M]- 192.04597858 140.5
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

patents stripe