CID 135705549

4-bromo-7-hydroxyindan oxime

Structural Information

Molecular Formula

C₉H₈BrNO₂

SMILES

C1C/C(=N/O)/C2=C(C=CC(=C21)Br)O

InChI

InChI=1S/C9H8BrNO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11-13/h2,4,12-13H,1,3H2/b11-7-

InChIKey

BFCCIMYTKKPKND-XFFZJAGNSA-N

Compound name

(3Z)-7-bromo-3-hydroxyimino-1,2-dihydroinden-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 240.97385 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]+	241.98113	146.8
[M+Na]+	263.96307	148.6
[M+NH4]+	259.00767	151.6
[M+K]+	279.93701	150.2
[M-H]-	239.96657	147.1
[M+Na-2H]-	261.94852	148.0
[M]+	240.97330	145.7
[M]-	240.97440	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.