CID 32234

N-(2-chlorophenacyl)imidazole nitrate

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1=CC=C(C(=C1)C(=O)CN2C=CN=C2)Cl
InChI
InChI=1S/C11H9ClN2O/c12-10-4-2-1-3-9(10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2
InChIKey
ZWVJLGSRDFLDDU-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

220.04034 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 145.4
[M+Na]+ 243.02956 154.8
[M-H]- 219.03306 149.4
[M+NH4]+ 238.07416 163.4
[M+K]+ 259.00350 150.2
[M+H-H2O]+ 203.03760 137.5
[M+HCOO]- 265.03854 163.6
[M+CH3COO]- 279.05419 185.2
[M+Na-2H]- 241.01501 149.9
[M]+ 220.03979 147.6
[M]- 220.04089 147.6
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