CID 12505964

N-heptanephosphonic dichloride

Structural Information

Molecular Formula

C₇H₁₅Cl₂OP

SMILES

CCCCCCCP(=O)(Cl)Cl

InChI

InChI=1S/C7H15Cl2OP/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3

InChIKey

HGCRBNZRSCCMQM-UHFFFAOYSA-N

Compound name

1-dichlorophosphorylheptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 216.02376 Da
Monoisotopic Mass: 3.8
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]+	217.03104	146.5
[M+Na]+	239.01298	155.1
[M-H]-	215.01648	145.3
[M+NH4]+	234.05758	167.4
[M+K]+	254.98692	150.5
[M+H-H2O]+	199.02102	141.9
[M+HCOO]-	261.02196	164.4
[M+CH3COO]-	275.03761	187.3
[M+Na-2H]-	236.99843	149.1
[M]+	216.02321	152.8
[M]-	216.02431	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe