CID 608088

4-bromobenzaldehyde oxime

Structural Information

Molecular Formula
C7H6BrNO
SMILES
C1=CC(=CC=C1C=NO)Br
InChI
InChI=1S/C7H6BrNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H
InChIKey
UIIZGAXKZZRCBN-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

198.96329 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.970566 130.8
[M+Na]+ 221.952508 142.4
[M-H]- 197.956014 137.3
[M+NH4]+ 216.997113 153.4
[M+K]+ 237.926448 131.6
[M+H-H2O]+ 181.960550 130.8
[M+HCOO]- 243.961491 154.7
[M+CH3COO]- 257.977141 182.2
[M+Na-2H]- 219.937956 140.5
[M]+ 198.96274142 148.7
[M]- 198.96383858 148.7
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