CID 90079824

3-(3,3-difluorocyclobutyl)propanoic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1C(CC1(F)F)CCC(=O)O
InChI
InChI=1S/C7H10F2O2/c8-7(9)3-5(4-7)1-2-6(10)11/h5H,1-4H2,(H,10,11)
InChIKey
CYFCVCHDGLSVMB-UHFFFAOYSA-N
Compound name
3-(3,3-difluorocyclobutyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

164.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 132.6
[M+Na]+ 187.05410 139.1
[M-H]- 163.05760 132.6
[M+NH4]+ 182.09870 148.0
[M+K]+ 203.02804 140.6
[M+H-H2O]+ 147.06214 122.6
[M+HCOO]- 209.06308 150.4
[M+CH3COO]- 223.07873 179.1
[M+Na-2H]- 185.03955 136.3
[M]+ 164.06433 137.9
[M]- 164.06543 137.9
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