CID 84716959

2-[3-(difluoromethyl)cyclobutyl]acetic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1C(CC1C(F)F)CC(=O)O
InChI
InChI=1S/C7H10F2O2/c8-7(9)5-1-4(2-5)3-6(10)11/h4-5,7H,1-3H2,(H,10,11)
InChIKey
NRRQZBZEOKZGQO-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 133.1
[M+Na]+ 187.054098 138.4
[M-H]- 163.057604 132.6
[M+NH4]+ 182.098703 146.4
[M+K]+ 203.028038 140.3
[M+H-H2O]+ 147.062140 121.5
[M+HCOO]- 209.063081 149.8
[M+CH3COO]- 223.078731 180.4
[M+Na-2H]- 185.039546 134.3
[M]+ 164.06433142 137.4
[M]- 164.06542858 137.4
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.