CID 11402004

Dtxsid201338052

Structural Information

Molecular Formula

C₁₂H₉O₃P

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3P(=O)(O2)O

InChI

InChI=1S/C12H9O3P/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H,(H,13,14)

InChIKey

YTLIXUAGIGBJAF-UHFFFAOYSA-N

Compound name

6-hydroxybenzo[c][2,1]benzoxaphosphinine 6-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 208
Patents: 232.02893 Da
Monoisotopic Mass: 2.0
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]+	233.03621	147.6
[M+Na]+	255.01815	162.6
[M+NH4]+	250.06275	158.5
[M+K]+	270.99209	153.6
[M-H]-	231.02165	152.0
[M+Na-2H]-	253.00360	155.3
[M]+	232.02838	151.2
[M]-	232.02948	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe