CID 92296

Phosphoric acid, 1,2-ethanediyl tetrakis(2-chloro-1-methylethyl) ester

Structural Information

Molecular Formula
C14H28Cl4O8P2
SMILES
CC(CCl)OP(=O)(OCCOP(=O)(OC(C)CCl)OC(C)CCl)OC(C)CCl
InChI
InChI=1S/C14H28Cl4O8P2/c1-11(7-15)23-27(19,24-12(2)8-16)21-5-6-22-28(20,25-13(3)9-17)26-14(4)10-18/h11-14H,5-10H2,1-4H3
InChIKey
BUMSXEVUCFMUJR-UHFFFAOYSA-N
Compound name
2-[bis(1-chloropropan-2-yloxy)phosphoryloxy]ethyl bis(1-chloropropan-2-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

526.00134 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.00862 211.7
[M+Na]+ 548.99056 218.4
[M-H]- 524.99406 215.2
[M+NH4]+ 544.03516 225.4
[M+K]+ 564.96450 215.7
[M+H-H2O]+ 508.99860 202.9
[M+HCOO]- 570.99954 223.8
[M+CH3COO]- 585.01519 238.0
[M+Na-2H]- 546.97601 203.6
[M]+ 526.00079 222.9
[M]- 526.00189 222.9
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.