CID 6399038

15028-10-1

Structural Information

Molecular Formula

SMILES

C1C2=CC=CC=C2C(=O)C1=NO

InChI

InChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,12H,5H2

InChIKey

CWEXMSPEUDRDPH-UHFFFAOYSA-N

Compound name

2-hydroxyimino-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 107
Patents: 161.04768 Da
Monoisotopic Mass: 1.7
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]+	162.05496	130.9
[M+Na]+	184.03690	142.5
[M+NH4]+	179.08150	139.9
[M+K]+	200.01084	138.1
[M-H]-	160.04040	133.2
[M+Na-2H]-	182.02235	136.5
[M]+	161.04713	133.0
[M]-	161.04823	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe