CID 101640759

789440-10-4

Structural Information

Molecular Formula
C6H13Cl2O4P
SMILES
CC(CCl)OP(=O)(O)OC(C)CCl
InChI
InChI=1S/C6H13Cl2O4P/c1-5(3-7)11-13(9,10)12-6(2)4-8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
ORAAZVDXWSKZHK-UHFFFAOYSA-N
Compound name
bis(1-chloropropan-2-yl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

249.99286 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00014 146.8
[M+Na]+ 272.98208 154.8
[M-H]- 248.98558 144.8
[M+NH4]+ 268.02668 165.5
[M+K]+ 288.95602 152.1
[M+H-H2O]+ 232.99012 142.7
[M+HCOO]- 294.99106 162.7
[M+CH3COO]- 309.00671 189.0
[M+Na-2H]- 270.96753 148.0
[M]+ 249.99231 154.1
[M]- 249.99341 154.1
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

No patent data available for this compound.