CID 2734136

Hexylphosphonic dichloride

Structural Information

Molecular Formula

C₆H₁₃Cl₂OP

SMILES

CCCCCCP(=O)(Cl)Cl

InChI

InChI=1S/C6H13Cl2OP/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3

InChIKey

GZXBQDURAKBNAZ-UHFFFAOYSA-N

Compound name

1-dichlorophosphorylhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 202.0081 Da
Monoisotopic Mass: 3.3
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]+	203.01538	140.0
[M+Na]+	224.99732	151.4
[M+NH4]+	220.04192	148.1
[M+K]+	240.97126	144.6
[M-H]-	201.00082	138.7
[M+Na-2H]-	222.98277	143.8
[M]+	202.00755	141.7
[M]-	202.00865	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe