CID 135497889

5-bromo-2-hydroxybenzaldehyde oxime

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

C1=CC(=C(C=C1Br)/C=N/O)O

InChI

InChI=1S/C7H6BrNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H/b9-4+

InChIKey

YSDJVLAQRCCLPB-RUDMXATFSA-N

Compound name

4-bromo-2-[(E)-hydroxyiminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 214.95819 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.96547	136.2
[M+Na]+	237.94741	139.1
[M+NH4]+	232.99201	140.7
[M+K]+	253.92135	139.5
[M-H]-	213.95091	136.6
[M+Na-2H]-	235.93286	139.6
[M]+	214.95764	135.4
[M]-	214.95874	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe