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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01538 141.7
[M+Na]+ 224.99732 150.7
[M-H]- 201.00082 140.6
[M+NH4]+ 220.04192 163.1
[M+K]+ 240.97126 146.3
[M+H-H2O]+ 185.00536 137.3
[M+HCOO]- 247.00630 159.9
[M+CH3COO]- 261.02195 184.4
[M+Na-2H]- 222.98277 144.8
[M]+ 202.00755 147.6
[M]- 202.00865 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe