CID 154857127

2490418-75-0

Structural Information

Molecular Formula
C12H14F2O2
SMILES
CC(C)(C)C(C1=CC(=CC(=C1)F)F)C(=O)O
InChI
InChI=1S/C12H14F2O2/c1-12(2,3)10(11(15)16)7-4-8(13)6-9(14)5-7/h4-6,10H,1-3H3,(H,15,16)
InChIKey
NUCBSQCLETWPDO-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09619 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10347 153.2
[M+Na]+ 251.08541 162.7
[M+NH4]+ 246.13001 158.9
[M+K]+ 267.05935 158.4
[M-H]- 227.08891 150.6
[M+Na-2H]- 249.07086 156.4
[M]+ 228.09564 153.6
[M]- 228.09674 153.6
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.