CID 199281

3943-55-3

Structural Information

Molecular Formula
C8H15Cl4O4P
SMILES
CC(C)OP(=O)(OC(C)C)OC(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C8H15Cl4O4P/c1-5(2)14-17(13,15-6(3)4)16-7(9)8(10,11)12/h5-7H,1-4H3
InChIKey
FKGQTPYUHPKSBS-UHFFFAOYSA-N
Compound name
dipropan-2-yl 1,2,2,2-tetrachloroethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.9462 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.95348 161.4
[M+Na]+ 368.93542 169.1
[M-H]- 344.93892 159.6
[M+NH4]+ 363.98002 177.0
[M+K]+ 384.90936 165.9
[M+H-H2O]+ 328.94346 159.0
[M+HCOO]- 390.94440 165.4
[M+CH3COO]- 404.96005 208.4
[M+Na-2H]- 366.92087 160.9
[M]+ 345.94565 169.1
[M]- 345.94675 169.1
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.