CID 10120121

Butan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

Structural Information

Molecular Formula
C13H9F17O4
SMILES
CCC(C)OC(=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
InChI
InChI=1S/C13H9F17O4/c1-3-4(2)32-5(31)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h4H,3H2,1-2H3
InChIKey
TYVNTBOMXDFSAY-UHFFFAOYSA-N
Compound name
butan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

552.02295 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.03023 179.0
[M+Na]+ 575.01217 184.5
[M-H]- 551.01567 188.8
[M+NH4]+ 570.05677 192.4
[M+K]+ 590.98611 193.4
[M+H-H2O]+ 535.02021 169.9
[M+HCOO]- 597.02115 195.7
[M+CH3COO]- 611.03680 243.5
[M+Na-2H]- 572.99762 177.7
[M]+ 552.02240 178.2
[M]- 552.02350 178.2
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.