CID 70090

Phosphorisocyanatidic dichloride

Structural Information

Molecular Formula

SMILES

C(=NP(=O)(Cl)Cl)=O

InChI

InChI=1S/CCl2NO2P/c2-7(3,6)4-1-5

InChIKey

QKPIQPBNFUNZSJ-UHFFFAOYSA-N

Compound name

dichlorophosphorylimino(oxo)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 158.90437 Da
Monoisotopic Mass: 2.1
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]+	159.91165	121.3
[M+Na]+	181.89359	132.4
[M-H]-	157.89709	122.5
[M+NH4]+	176.93819	144.6
[M+K]+	197.86753	129.6
[M+H-H2O]+	141.90163	117.3
[M+HCOO]-	203.90257	144.3
[M+CH3COO]-	217.91822	175.9
[M+Na-2H]-	179.87904	128.0
[M]+	158.90382	126.4
[M]-	158.90492	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe