CID 155820263

1-ethoxy-4,4-difluorocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14F2O3
SMILES
CCOC1(CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C9H14F2O3/c1-2-14-8(7(12)13)3-5-9(10,11)6-4-8/h2-6H2,1H3,(H,12,13)
InChIKey
KILHZPPDFDVPMA-UHFFFAOYSA-N
Compound name
1-ethoxy-4,4-difluorocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0911 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.098376 142.0
[M+Na]+ 231.080318 148.7
[M-H]- 207.083824 141.4
[M+NH4]+ 226.124923 163.9
[M+K]+ 247.054258 147.7
[M+H-H2O]+ 191.088360 136.7
[M+HCOO]- 253.089301 158.4
[M+CH3COO]- 267.104951 181.8
[M+Na-2H]- 229.065766 146.2
[M]+ 208.09055142 137.5
[M]- 208.09164858 137.5
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

No patent data available for this compound.