CID 165991775

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

Structural Information

Molecular Formula
C8H12F2O3
SMILES
CC(C1CC(C1)(F)F)(C(=O)O)OC
InChI
InChI=1S/C8H12F2O3/c1-7(13-2,6(11)12)5-3-8(9,10)4-5/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey
XMHJVOAJSXHEBM-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)-2-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07545 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.082726 140.1
[M+Na]+ 217.064668 146.3
[M-H]- 193.068174 140.1
[M+NH4]+ 212.109273 154.3
[M+K]+ 233.038608 148.6
[M+H-H2O]+ 177.072710 130.4
[M+HCOO]- 239.073651 156.2
[M+CH3COO]- 253.089301 184.3
[M+Na-2H]- 215.050116 144.0
[M]+ 194.07490142 146.7
[M]- 194.07599858 146.7
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.