CID 9604797

1-(4-bromophenyl)-2-(1h-imidazol-2-yl)ethanone oxime

Structural Information

Molecular Formula
C11H10BrN3O
SMILES
C1=CC(=CC=C1/C(=N\O)/CC2=NC=CN2)Br
InChI
InChI=1S/C11H10BrN3O/c12-9-3-1-8(2-4-9)10(15-16)7-11-13-5-6-14-11/h1-6,16H,7H2,(H,13,14)/b15-10-
InChIKey
CMXCAOHNCNAUHW-GDNBJRDFSA-N
Compound name
(NZ)-N-[1-(4-bromophenyl)-2-(1H-imidazol-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00073 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00801 153.2
[M+Na]+ 301.98995 163.5
[M-H]- 277.99345 158.8
[M+NH4]+ 297.03455 170.8
[M+K]+ 317.96389 151.2
[M+H-H2O]+ 261.99799 151.1
[M+HCOO]- 323.99893 173.3
[M+CH3COO]- 338.01458 192.9
[M+Na-2H]- 299.97540 159.4
[M]+ 279.00018 169.6
[M]- 279.00128 169.6
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.