CID 45791764

N-[(2,4-dichloro-1-phenyl-1h-imidazol-5-yl)methylidene]hydroxylamine

Structural Information

Molecular Formula
C10H7Cl2N3O
SMILES
C1=CC=C(C=C1)N2C(=C(N=C2Cl)Cl)/C=N/O
InChI
InChI=1S/C10H7Cl2N3O/c11-9-8(6-13-16)15(10(12)14-9)7-4-2-1-3-5-7/h1-6,16H/b13-6+
InChIKey
BGJRRMRFYMAGAC-AWNIVKPZSA-N
Compound name
(NE)-N-[(2,5-dichloro-3-phenylimidazol-4-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.99661 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.003886 152.4
[M+Na]+ 277.985828 163.7
[M-H]- 253.989334 156.3
[M+NH4]+ 273.030433 169.7
[M+K]+ 293.959768 157.5
[M+H-H2O]+ 237.993870 145.0
[M+HCOO]- 299.994811 167.5
[M+CH3COO]- 314.010461 165.0
[M+Na-2H]- 275.971276 156.6
[M]+ 254.99606142 155.7
[M]- 254.99715858 155.7
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.