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

27
Patents

208.0911 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.098376 143.7
[M+Na]+ 231.080318 150.0
[M-H]- 207.083824 142.9
[M+NH4]+ 226.124923 165.4
[M+K]+ 247.054258 148.9
[M+H-H2O]+ 191.088360 138.3
[M+HCOO]- 253.089301 160.7
[M+CH3COO]- 267.104951 180.2
[M+Na-2H]- 229.065766 147.1
[M]+ 208.09055142 139.9
[M]- 208.09164858 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