CID 71967

Lofemizole

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CC1=C(N=CN1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2/c1-7-10(13-6-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
MBKWNJVQSFBLQI-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1697
Patents

192.04543 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 138.9
[M+Na]+ 215.03465 149.4
[M-H]- 191.03815 141.9
[M+NH4]+ 210.07925 157.9
[M+K]+ 231.00859 143.7
[M+H-H2O]+ 175.04269 131.8
[M+HCOO]- 237.04363 156.5
[M+CH3COO]- 251.05928 152.2
[M+Na-2H]- 213.02010 144.0
[M]+ 192.04488 139.1
[M]- 192.04598 139.1
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