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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.