CID 10134714

Butan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C10H9F11O3
SMILES
CCC(C)OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H9F11O3/c1-3-4(2)23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3
InChIKey
UJKLXHUBMDNJOB-UHFFFAOYSA-N
Compound name
butan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.0376 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04488 171.4
[M+Na]+ 409.02682 179.5
[M-H]- 385.03032 158.9
[M+NH4]+ 404.07142 165.9
[M+K]+ 425.00076 178.0
[M+H-H2O]+ 369.03486 159.2
[M+HCOO]- 431.03580 174.0
[M+CH3COO]- 445.05145 217.5
[M+Na-2H]- 407.01227 172.9
[M]+ 386.03705 158.0
[M]- 386.03815 158.0
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.