CID 73909

1499-17-8

Structural Information

Molecular Formula

C₆H₄ClO₃P

SMILES

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

InChI

InChI=1S/C6H4ClO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H

InChIKey

KMWSGKPLIWNTEF-UHFFFAOYSA-N

Compound name

2-chloro-1,3,2lambda5-benzodioxaphosphole 2-oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 189
Patents: 189.95866 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]+	190.96594	131.6
[M+Na]+	212.94788	143.1
[M-H]-	188.95138	137.0
[M+NH4]+	207.99248	155.0
[M+K]+	228.92182	142.4
[M+H-H2O]+	172.95592	126.2
[M+HCOO]-	234.95686	155.8
[M+CH3COO]-	248.97251	176.9
[M+Na-2H]-	210.93333	139.0
[M]+	189.95811	137.1
[M]-	189.95921	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe