CID 89816

22749-43-5

Structural Information

Molecular Formula

C₁₂H₈ClOP

SMILES

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

InChI

InChI=1S/C12H8ClOP/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8H

InChIKey

UBEUAZASIHVFOB-UHFFFAOYSA-N

Compound name

6-chlorobenzo[c][2,1]benzoxaphosphinine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 295
Patents: 234.00012 Da
Monoisotopic Mass: 3.8
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]+	235.00740	145.6
[M+Na]+	256.98934	162.9
[M+NH4]+	252.03394	157.1
[M+K]+	272.96328	153.5
[M-H]-	232.99284	151.8
[M+Na-2H]-	254.97479	153.7
[M]+	233.99957	150.4
[M]-	234.00067	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe