CID 155822927

2-(3,3-difluorocyclobutyl)-2-ethoxyacetic acid

Structural Information

Molecular Formula
C8H12F2O3
SMILES
CCOC(C1CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O3/c1-2-13-6(7(11)12)5-3-8(9,10)4-5/h5-6H,2-4H2,1H3,(H,11,12)
InChIKey
JBEKDBOHBZBNSY-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)-2-ethoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07545 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.082726 141.4
[M+Na]+ 217.064668 146.9
[M-H]- 193.068174 141.1
[M+NH4]+ 212.109273 155.4
[M+K]+ 233.038608 149.2
[M+H-H2O]+ 177.072710 130.9
[M+HCOO]- 239.073651 158.0
[M+CH3COO]- 253.089301 184.8
[M+Na-2H]- 215.050116 143.1
[M]+ 194.07490142 147.8
[M]- 194.07599858 147.8
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.