CID 74232

1641-40-3

Structural Information

Molecular Formula

C₆H₄ClO₂P

SMILES

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

InChI

InChI=1S/C6H4ClO2P/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H

InChIKey

YUJYEGDMJZHLMY-UHFFFAOYSA-N

Compound name

2-chloro-1,3,2-benzodioxaphosphole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 610
Patents: 173.96375 Da
Monoisotopic Mass: 2.5
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]+	174.971026	131.7
[M+Na]+	196.952968	142.0
[M-H]-	172.956474	136.6
[M+NH4]+	191.997573	153.7
[M+K]+	212.926908	141.2
[M+H-H2O]+	156.961010	125.7
[M+HCOO]-	218.961951	155.3
[M+CH3COO]-	232.977601	176.1
[M+Na-2H]-	194.938416	137.5
[M]+	173.96320142	136.1
[M]-	173.96429858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe