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

1
Patents

164.06488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 132.0
[M+Na]+ 187.054098 140.3
[M-H]- 163.057604 132.9
[M+NH4]+ 182.098703 149.8
[M+K]+ 203.028038 141.9
[M+H-H2O]+ 147.062140 123.9
[M+HCOO]- 209.063081 149.8
[M+CH3COO]- 223.078731 180.0
[M+Na-2H]- 185.039546 136.3
[M]+ 164.06433142 138.1
[M]- 164.06542858 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

patents stripe