CID 333376

Tris(1,1,1,3,3,3-hexafluoro-2-propyl) phosphite

Structural Information

Molecular Formula
C9H3F18O3P
SMILES
C(C(F)(F)F)(C(F)(F)F)OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H3F18O3P/c10-4(11,12)1(5(13,14)15)28-31(29-2(6(16,17)18)7(19,20)21)30-3(8(22,23)24)9(25,26)27/h1-3H
InChIKey
MJOVEPJSFHDSOJ-UHFFFAOYSA-N
Compound name
tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

531.95325 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.96053 182.0
[M+Na]+ 554.94247 188.4
[M-H]- 530.94597 189.6
[M+NH4]+ 549.98707 195.0
[M+K]+ 570.91641 194.3
[M+H-H2O]+ 514.95051 170.9
[M+HCOO]- 576.95145 194.0
[M+CH3COO]- 590.96710 240.3
[M+Na-2H]- 552.92792 179.2
[M]+ 531.95270 174.7
[M]- 531.95380 174.7
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