CID 53440832

Dtxsid40702839

Structural Information

Molecular Formula
C9H4F12O3
SMILES
C=C(C(=O)OCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C9H4F12O3/c1-3(10)4(22)23-2-5(11,7(14,15)16)24-9(20,21)6(12,13)8(17,18)19/h1-2H2
InChIKey
BQXQIBUMNFGIII-UHFFFAOYSA-N
Compound name
[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] 2-fluoroprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.9969 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00418 168.7
[M+Na]+ 410.98612 177.5
[M-H]- 386.98962 155.3
[M+NH4]+ 406.03072 161.5
[M+K]+ 426.96006 175.2
[M+H-H2O]+ 370.99416 155.8
[M+HCOO]- 432.99510 170.0
[M+CH3COO]- 447.01075 216.5
[M+Na-2H]- 408.97157 170.1
[M]+ 387.99635 152.7
[M]- 387.99745 152.7
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.