CID 20253757

4-(4-chlorophenyl)-1-methyl-1h-imidazole

Structural Information

Molecular Formula
C10H9ClN2
SMILES
CN1C=C(N=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2/c1-13-6-10(12-7-13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKey
HNSHEMLQWGMAOO-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04543 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05271 138.4
[M+Na]+ 215.03465 149.3
[M-H]- 191.03815 142.8
[M+NH4]+ 210.07925 158.1
[M+K]+ 231.00859 144.5
[M+H-H2O]+ 175.04269 130.9
[M+HCOO]- 237.04363 157.5
[M+CH3COO]- 251.05928 152.4
[M+Na-2H]- 213.02010 143.9
[M]+ 192.04488 140.5
[M]- 192.04598 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.