CID 9677294

452280-22-7

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

COC1=C(C=C(C=C1)Br)/C=N/O

InChI

InChI=1S/C8H8BrNO2/c1-12-8-3-2-7(9)4-6(8)5-10-11/h2-5,11H,1H3/b10-5+

InChIKey

FOPPMJDZHLMQIP-BJMVGYQFSA-N

Compound name

(NE)-N-[(5-bromo-2-methoxyphenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.97385 Da
Monoisotopic Mass: 2.3
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]+	229.98113	139.8
[M+Na]+	251.96307	143.0
[M+NH4]+	247.00767	144.4
[M+K]+	267.93701	142.9
[M-H]-	227.96657	140.6
[M+Na-2H]-	249.94852	143.5
[M]+	228.97330	139.2
[M]-	228.97440	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe