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

19
Patents

216.02376 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03104 144.4
[M+Na]+ 239.01298 155.6
[M+NH4]+ 234.05758 152.3
[M+K]+ 254.98692 148.6
[M-H]- 215.01648 143.1
[M+Na-2H]- 236.99843 147.9
[M]+ 216.02321 146.1
[M]- 216.02431 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe