CID 9693201

1191245-18-7

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
C1=CC=C(C(=C1)NC(=O)/C=N/O)Br
InChI
InChI=1S/C8H7BrN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
InChIKey
KRUQMJREXXFSBT-BJMVGYQFSA-N
Compound name
(2E)-N-(2-bromophenyl)-2-hydroxyiminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

241.96909 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.976366 140.9
[M+Na]+ 264.958308 151.0
[M-H]- 240.961814 147.1
[M+NH4]+ 260.002913 161.2
[M+K]+ 280.932248 139.9
[M+H-H2O]+ 224.966350 139.5
[M+HCOO]- 286.967291 164.7
[M+CH3COO]- 300.982941 191.0
[M+Na-2H]- 262.943756 149.0
[M]+ 241.96854142 158.3
[M]- 241.96963858 158.3
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