CID 102863

2641-34-1

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

214
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

literature stripe

Patent stripe

patents stripe