CID 105429666

2-ethyl-3,3-difluorobutanoic acid

Structural Information

Molecular Formula
C6H10F2O2
SMILES
CCC(C(=O)O)C(C)(F)F
InChI
InChI=1S/C6H10F2O2/c1-3-4(5(9)10)6(2,7)8/h4H,3H2,1-2H3,(H,9,10)
InChIKey
XHDXKRNVYCZBTJ-UHFFFAOYSA-N
Compound name
2-ethyl-3,3-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.06488 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07216 133.7
[M+Na]+ 175.05410 140.8
[M+NH4]+ 170.09870 139.0
[M+K]+ 191.02804 137.9
[M-H]- 151.05760 128.4
[M+Na-2H]- 173.03955 134.6
[M]+ 152.06433 132.7
[M]- 152.06543 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.