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

3423
Patents

343.986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.993276 167.0
[M+Na]+ 366.975218 176.0
[M-H]- 342.978724 155.5
[M+NH4]+ 362.019823 154.8
[M+K]+ 382.949158 174.8
[M+H-H2O]+ 326.983260 153.5
[M+HCOO]- 388.984201 172.1
[M+CH3COO]- 402.999851 206.9
[M+Na-2H]- 364.960666 169.7
[M]+ 343.98545142 160.0
[M]- 343.98654858 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

literature stripe

Patent stripe

patents stripe