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

91
Patents

152.06488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07216 128.5
[M+Na]+ 175.05410 135.7
[M-H]- 151.05760 125.1
[M+NH4]+ 170.09870 149.0
[M+K]+ 191.02804 135.3
[M+H-H2O]+ 135.06214 123.1
[M+HCOO]- 197.06308 145.9
[M+CH3COO]- 211.07873 175.0
[M+Na-2H]- 173.03955 132.2
[M]+ 152.06433 125.8
[M]- 152.06543 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