CID 15038809

Butyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate

Structural Information

Molecular Formula
C10H9F11O3
SMILES
CCCCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H9F11O3/c1-2-3-4-23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h2-4H2,1H3
InChIKey
CGSFDPJUSOBKQT-UHFFFAOYSA-N
Compound name
butyl 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

4
Patents

386.0376 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04488 173.3
[M+Na]+ 409.02682 181.6
[M-H]- 385.03032 160.7
[M+NH4]+ 404.07142 162.8
[M+K]+ 425.00076 179.6
[M+H-H2O]+ 369.03486 160.8
[M+HCOO]- 431.03580 174.6
[M+CH3COO]- 445.05145 216.8
[M+Na-2H]- 407.01227 175.7
[M]+ 386.03705 160.5
[M]- 386.03815 160.5
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