CID 237010

5381-99-7

Structural Information

Molecular Formula

C₇H₄ClO₃P

SMILES

C1=CC=C2C(=C1)C(=O)OP(O2)Cl

InChI

InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H

InChIKey

BVOITXUNGDUXRW-UHFFFAOYSA-N

Compound name

2-chloro-1,3,2-benzodioxaphosphinin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1113
Patents: 201.95866 Da
Monoisotopic Mass: 2.4
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]+	202.96594	134.4
[M+Na]+	224.94788	149.2
[M+NH4]+	219.99248	143.8
[M+K]+	240.92182	143.1
[M-H]-	200.95138	139.4
[M+Na-2H]-	222.93333	139.9
[M]+	201.95811	138.2
[M]-	201.95921	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe