CID 11052834

Ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate

Structural Information

Molecular Formula
C9H14F2O3
SMILES
CCOC(=O)C(C1(CCCC1)O)(F)F
InChI
InChI=1S/C9H14F2O3/c1-2-14-7(12)9(10,11)8(13)5-3-4-6-8/h13H,2-6H2,1H3
InChIKey
JRDSMWUOOBAVSI-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

208.0911 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09838 143.7
[M+Na]+ 231.08032 150.0
[M-H]- 207.08382 142.9
[M+NH4]+ 226.12492 165.4
[M+K]+ 247.05426 148.9
[M+H-H2O]+ 191.08836 138.3
[M+HCOO]- 253.08930 160.7
[M+CH3COO]- 267.10495 180.2
[M+Na-2H]- 229.06577 147.1
[M]+ 208.09055 139.9
[M]- 208.09165 139.9
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