CID 121207731

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

Structural Information

Molecular Formula
C8H12F2O2
SMILES
CC(CC1CC(C1)(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O2/c1-5(7(11)12)2-6-3-8(9,10)4-6/h5-6H,2-4H2,1H3,(H,11,12)
InChIKey
WYELERVPQFSRJQ-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.08054 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 139.0
[M+Na]+ 201.06976 144.7
[M-H]- 177.07326 138.8
[M+NH4]+ 196.11436 153.7
[M+K]+ 217.04370 146.5
[M+H-H2O]+ 161.07780 128.8
[M+HCOO]- 223.07874 155.4
[M+CH3COO]- 237.09439 182.9
[M+Na-2H]- 199.05521 140.7
[M]+ 178.07999 143.9
[M]- 178.08109 143.9
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

patents stripe