CID 5480616

(nz)-n-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine

Structural Information

Molecular Formula
C11H9Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)/C(=N/O)/CN2C=CN=C2
InChI
InChI=1S/C11H9Cl2N3O/c12-8-1-2-9(10(13)5-8)11(15-17)6-16-4-3-14-7-16/h1-5,7,17H,6H2/b15-11+
InChIKey
WDFDJSRQMAZXEJ-RVDMUPIBSA-N
Compound name
(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

269.01227 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.019546 156.5
[M+Na]+ 292.001488 166.2
[M-H]- 268.004994 160.1
[M+NH4]+ 287.046093 172.9
[M+K]+ 307.975428 160.2
[M+H-H2O]+ 252.009530 148.7
[M+HCOO]- 314.010471 170.4
[M+CH3COO]- 328.026121 195.0
[M+Na-2H]- 289.986936 159.9
[M]+ 269.01172142 159.3
[M]- 269.01281858 159.3
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