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]+ 195.08273 140.1
[M+Na]+ 217.06467 146.3
[M-H]- 193.06817 140.1
[M+NH4]+ 212.10927 154.3
[M+K]+ 233.03861 148.6
[M+H-H2O]+ 177.07271 130.4
[M+HCOO]- 239.07365 156.2
[M+CH3COO]- 253.08930 184.3
[M+Na-2H]- 215.05012 144.0
[M]+ 194.07490 146.7
[M]- 194.07600 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.