CID 3065735

3,3,3-trifluorolactic acid methyl ester dibutyl phosphate

Structural Information

Molecular Formula
C12H22F3O6P
SMILES
CCCCOP(=O)(OCCCC)OC(C(=O)OC)C(F)(F)F
InChI
InChI=1S/C12H22F3O6P/c1-4-6-8-19-22(17,20-9-7-5-2)21-10(11(16)18-3)12(13,14)15/h10H,4-9H2,1-3H3
InChIKey
SUACWEZIQVVZMX-UHFFFAOYSA-N
Compound name
methyl 2-dibutoxyphosphoryloxy-3,3,3-trifluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1106 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11788 179.6
[M+Na]+ 373.09982 184.8
[M-H]- 349.10332 172.8
[M+NH4]+ 368.14442 182.0
[M+K]+ 389.07376 185.2
[M+H-H2O]+ 333.10786 169.4
[M+HCOO]- 395.10880 191.3
[M+CH3COO]- 409.12445 211.5
[M+Na-2H]- 371.08527 178.8
[M]+ 350.11005 174.1
[M]- 350.11115 174.1
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.