CID 86130

Propanoyl fluoride, 2-(1-(difluoro(heptafluoropropoxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoro-

Structural Information

Molecular Formula
C9F18O3
SMILES
C(=O)(C(C(F)(F)F)(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)F)F
InChI
InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-4(14,7(21,22)23)9(26,27)30-8(24,25)3(12,13)6(18,19)20
InChIKey
ZFUIXYCDZABZDB-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxypropanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

497.956 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.96328 160.8
[M+Na]+ 520.94522 166.9
[M-H]- 496.94872 169.6
[M+NH4]+ 515.98982 172.3
[M+K]+ 536.91916 174.3
[M+H-H2O]+ 480.95326 151.8
[M+HCOO]- 542.95420 180.6
[M+CH3COO]- 556.96985 234.6
[M+Na-2H]- 518.93067 161.5
[M]+ 497.95545 159.4
[M]- 497.95655 159.4
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.