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]+ 165.07216 133.1
[M+Na]+ 187.05410 138.4
[M-H]- 163.05760 132.6
[M+NH4]+ 182.09870 146.4
[M+K]+ 203.02804 140.3
[M+H-H2O]+ 147.06214 121.5
[M+HCOO]- 209.06308 149.8
[M+CH3COO]- 223.07873 180.4
[M+Na-2H]- 185.03955 134.3
[M]+ 164.06433 137.4
[M]- 164.06543 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.