CID 12505964

764-11-4

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.031036 146.5
[M+Na]+ 239.012978 155.1
[M-H]- 215.016484 145.3
[M+NH4]+ 234.057583 167.4
[M+K]+ 254.986918 150.5
[M+H-H2O]+ 199.021020 141.9
[M+HCOO]- 261.021961 164.4
[M+CH3COO]- 275.037611 187.3
[M+Na-2H]- 236.998426 149.1
[M]+ 216.02321142 152.8
[M]- 216.02430858 152.8
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