CID 115011849

4,4-difluoro-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C6H10F2O2
SMILES
CC(C)(CC(=O)O)C(F)F
InChI
InChI=1S/C6H10F2O2/c1-6(2,5(7)8)3-4(9)10/h5H,3H2,1-2H3,(H,9,10)
InChIKey
GFVUMPMTUSZRAR-UHFFFAOYSA-N
Compound name
4,4-difluoro-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

152.06488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.072156 128.5
[M+Na]+ 175.054098 135.7
[M-H]- 151.057604 125.1
[M+NH4]+ 170.098703 149.0
[M+K]+ 191.028038 135.3
[M+H-H2O]+ 135.062140 123.1
[M+HCOO]- 197.063081 145.9
[M+CH3COO]- 211.078731 175.0
[M+Na-2H]- 173.039546 132.2
[M]+ 152.06433142 125.8
[M]- 152.06542858 125.8
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