CID 165431073

Methyl 2-(4,4-difluorocyclohexyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H14F2O3
SMILES
COC(=O)C(C1CCC(CC1)(F)F)O
InChI
InChI=1S/C9H14F2O3/c1-14-8(13)7(12)6-2-4-9(10,11)5-3-6/h6-7,12H,2-5H2,1H3
InChIKey
QBPKXOPBGOJMGU-UHFFFAOYSA-N
Compound name
methyl 2-(4,4-difluorocyclohexyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0911 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09838 143.3
[M+Na]+ 231.08032 148.9
[M-H]- 207.08382 142.4
[M+NH4]+ 226.12492 163.2
[M+K]+ 247.05426 148.1
[M+H-H2O]+ 191.08836 137.2
[M+HCOO]- 253.08930 158.7
[M+CH3COO]- 267.10495 182.2
[M+Na-2H]- 229.06577 144.9
[M]+ 208.09055 137.6
[M]- 208.09165 137.6
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.