CID 59044

2(3h)-furanone, dihydro-5,5-bis(trifluoromethyl)-3-hydroxy-4-pentyl-

Structural Information

Molecular Formula
C11H14F6O3
SMILES
CCCCCC1C(C(=O)OC1(C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C11H14F6O3/c1-2-3-4-5-6-7(18)8(19)20-9(6,10(12,13)14)11(15,16)17/h6-7,18H,2-5H2,1H3
InChIKey
ZCDBTMTVDOKNEI-UHFFFAOYSA-N
Compound name
3-hydroxy-4-pentyl-5,5-bis(trifluoromethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.08472 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09200 159.7
[M+Na]+ 331.07394 168.7
[M-H]- 307.07744 155.1
[M+NH4]+ 326.11854 176.7
[M+K]+ 347.04788 166.6
[M+H-H2O]+ 291.08198 152.0
[M+HCOO]- 353.08292 170.3
[M+CH3COO]- 367.09857 200.2
[M+Na-2H]- 329.05939 161.5
[M]+ 308.08417 153.2
[M]- 308.08527 153.2
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.