CID 6422909

Phosphorodichloridic acid, hexyl ester

Structural Information

Molecular Formula
C6H13Cl2O2P
SMILES
CCCCCCOP(=O)(Cl)Cl
InChI
InChI=1S/C6H13Cl2O2P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKey
DSALCQNSJMUGOG-UHFFFAOYSA-N
Compound name
1-dichlorophosphoryloxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

218.00302 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01030 143.8
[M+Na]+ 240.99224 152.8
[M-H]- 216.99574 142.9
[M+NH4]+ 236.03684 164.7
[M+K]+ 256.96618 149.0
[M+H-H2O]+ 201.00028 139.3
[M+HCOO]- 263.00122 162.4
[M+CH3COO]- 277.01687 186.2
[M+Na-2H]- 238.97769 147.2
[M]+ 218.00247 151.2
[M]- 218.00357 151.2
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