CID 175686351

3-chloro-2-(chloromethyl)-2-methylpropyl (2-chloroethyl) hydrogen phosphate

Structural Information

Molecular Formula
C7H14Cl3O4P
SMILES
CC(COP(=O)(O)OCCCl)(CCl)CCl
InChI
InChI=1S/C7H14Cl3O4P/c1-7(4-9,5-10)6-14-15(11,12)13-3-2-8/h2-6H2,1H3,(H,11,12)
InChIKey
ZPEZMEDHMDLPCP-UHFFFAOYSA-N
Compound name
[3-chloro-2-(chloromethyl)-2-methylpropyl] 2-chloroethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.96954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.97682 157.6
[M+Na]+ 320.95876 166.0
[M-H]- 296.96226 154.9
[M+NH4]+ 316.00336 174.6
[M+K]+ 336.93270 161.4
[M+H-H2O]+ 280.96680 154.2
[M+HCOO]- 342.96774 168.1
[M+CH3COO]- 356.98339 196.1
[M+Na-2H]- 318.94421 160.8
[M]+ 297.96899 165.6
[M]- 297.97009 165.6
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

No patent data available for this compound.