CID 303454

Tris(2,2,2-trifluoroethyl) phosphate

Structural Information

Molecular Formula
C6H6F9O4P
SMILES
C(C(F)(F)F)OP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C6H6F9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2
InChIKey
ZMQDTYVODWKHNT-UHFFFAOYSA-N
Compound name
tris(2,2,2-trifluoroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3324
Patents

343.986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99328 167.0
[M+Na]+ 366.97522 176.0
[M-H]- 342.97872 155.5
[M+NH4]+ 362.01982 154.8
[M+K]+ 382.94916 174.8
[M+H-H2O]+ 326.98326 153.5
[M+HCOO]- 388.98420 172.1
[M+CH3COO]- 402.99985 206.9
[M+Na-2H]- 364.96067 169.7
[M]+ 343.98545 160.0
[M]- 343.98655 160.0
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.