CID 5480614

1-(4-chlorophenyl)-2-imidazol-1-yl-ethanone oxime

Structural Information

Molecular Formula
C11H10ClN3O
SMILES
C1=CC(=CC=C1/C(=N/O)/CN2C=CN=C2)Cl
InChI
InChI=1S/C11H10ClN3O/c12-10-3-1-9(2-4-10)11(14-16)7-15-6-5-13-8-15/h1-6,8,16H,7H2/b14-11+
InChIKey
NIUIGNPIBHOCIB-SDNWHVSQSA-N
Compound name
(NZ)-N-[1-(4-chlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

235.05124 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.05852 149.8
[M+Na]+ 258.04046 158.4
[M-H]- 234.04396 153.9
[M+NH4]+ 253.08506 166.9
[M+K]+ 274.01440 153.7
[M+H-H2O]+ 218.04850 141.5
[M+HCOO]- 280.04944 169.1
[M+CH3COO]- 294.06509 189.4
[M+Na-2H]- 256.02591 154.9
[M]+ 235.05069 151.3
[M]- 235.05179 151.3
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