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]+ 256.00389 152.4
[M+Na]+ 277.98583 163.7
[M-H]- 253.98933 156.3
[M+NH4]+ 273.03043 169.7
[M+K]+ 293.95977 157.5
[M+H-H2O]+ 237.99387 145.0
[M+HCOO]- 299.99481 167.5
[M+CH3COO]- 314.01046 165.0
[M+Na-2H]- 275.97128 156.6
[M]+ 254.99606 155.7
[M]- 254.99716 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.