CID 88525

Tris(2,2,2-trichloroethyl) phosphate

Structural Information

Molecular Formula
C6H6Cl9O4P
SMILES
C(C(Cl)(Cl)Cl)OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C6H6Cl9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2
InChIKey
ODPLNIWRFSCKKO-UHFFFAOYSA-N
Compound name
tris(2,2,2-trichloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

487.72003 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.727306 212.6
[M+Na]+ 510.709248 214.0
[M-H]- 486.712754 202.1
[M+NH4]+ 505.753853 216.7
[M+K]+ 526.683188 214.6
[M+H-H2O]+ 470.717290 208.7
[M+HCOO]- 532.718231 192.4
[M+CH3COO]- 546.733881 229.2
[M+Na-2H]- 508.694696 205.1
[M]+ 487.71948142 202.2
[M]- 487.72057858 202.2
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