CID 170574

41761-00-6

Structural Information

Molecular Formula

C₇H₈ClO₂P

SMILES

COP(=O)(C1=CC=CC=C1)Cl

InChI

InChI=1S/C7H8ClO2P/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

FTECLVMZQARBMA-UHFFFAOYSA-N

Compound name

[chloro(methoxy)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 189.99504 Da
Monoisotopic Mass: 1.7
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]+	191.00232	135.9
[M+Na]+	212.98426	145.3
[M-H]-	188.98776	138.8
[M+NH4]+	208.02886	157.1
[M+K]+	228.95820	142.4
[M+H-H2O]+	172.99230	129.4
[M+HCOO]-	234.99324	160.8
[M+CH3COO]-	249.00889	179.6
[M+Na-2H]-	210.96971	141.6
[M]+	189.99449	140.3
[M]-	189.99559	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe