CID 117273

Einecs 247-202-7

Structural Information

Molecular Formula
C12F16O3
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(C(OC(C(=O)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C12F16O3/c13-1-2(14)4(16)6(5(17)3(1)15)30-9(20,11(24,25)26)12(27,28)31-8(19,7(18)29)10(21,22)23
InChIKey
BTMPGBKXGNLFBU-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(2,3,4,5,6-pentafluorophenoxy)propoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

495.9592 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.96648 194.8
[M+Na]+ 518.94842 207.5
[M-H]- 494.95192 181.9
[M+NH4]+ 513.99302 201.7
[M+K]+ 534.92236 202.8
[M+H-H2O]+ 478.95646 178.1
[M+HCOO]- 540.95740 193.3
[M+CH3COO]- 554.97305 237.7
[M+Na-2H]- 516.93387 192.3
[M]+ 495.95865 175.3
[M]- 495.95975 175.3
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

patents stripe