CID 117780

26350-26-5

Structural Information

Molecular Formula

C₂H₅Cl₂OP

SMILES

CP(=O)(CCl)Cl

InChI

InChI=1S/C2H5Cl2OP/c1-6(4,5)2-3/h2H2,1H3

InChIKey

ZDXUZZVQABKQKW-UHFFFAOYSA-N

Compound name

chloro-[chloro(methyl)phosphoryl]methane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 145.94551 Da
Monoisotopic Mass: 0.9
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]+	146.95279	122.3
[M+Na]+	168.93473	132.9
[M-H]-	144.93823	121.9
[M+NH4]+	163.97933	145.9
[M+K]+	184.90867	129.6
[M+H-H2O]+	128.94277	118.8
[M+HCOO]-	190.94371	141.8
[M+CH3COO]-	204.95936	172.4
[M+Na-2H]-	166.92018	127.6
[M]+	145.94496	126.7
[M]-	145.94606	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe