CID 167719562

3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC1(C(CC1(F)F)C(=O)O)C
InChI
InChI=1S/C7H10F2O2/c1-6(2)4(5(10)11)3-7(6,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKey
DPLSERWVUGVXJR-UHFFFAOYSA-N
Compound name
3,3-difluoro-2,2-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 132.0
[M+Na]+ 187.05410 140.3
[M-H]- 163.05760 132.9
[M+NH4]+ 182.09870 149.8
[M+K]+ 203.02804 141.9
[M+H-H2O]+ 147.06214 123.9
[M+HCOO]- 209.06308 149.8
[M+CH3COO]- 223.07873 180.0
[M+Na-2H]- 185.03955 136.3
[M]+ 164.06433 138.1
[M]- 164.06543 138.1
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.