CID 155820263

2024887-18-9

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]+ 209.09838 142.0
[M+Na]+ 231.08032 148.7
[M-H]- 207.08382 141.4
[M+NH4]+ 226.12492 163.9
[M+K]+ 247.05426 147.7
[M+H-H2O]+ 191.08836 136.7
[M+HCOO]- 253.08930 158.4
[M+CH3COO]- 267.10495 181.8
[M+Na-2H]- 229.06577 146.2
[M]+ 208.09055 137.5
[M]- 208.09165 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.