CID 144715454

3,3-difluoro-2-methyl-2-phenylpropanoic acid

Structural Information

Molecular Formula
C10H10F2O2
SMILES
CC(C1=CC=CC=C1)(C(F)F)C(=O)O
InChI
InChI=1S/C10H10F2O2/c1-10(8(11)12,9(13)14)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,13,14)
InChIKey
MNHLHEXBYAKQMK-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-methyl-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.072156 139.4
[M+Na]+ 223.054098 146.3
[M-H]- 199.057604 139.1
[M+NH4]+ 218.098703 157.6
[M+K]+ 239.028038 144.1
[M+H-H2O]+ 183.062140 132.6
[M+HCOO]- 245.063081 157.1
[M+CH3COO]- 259.078731 182.3
[M+Na-2H]- 221.039546 143.7
[M]+ 200.06433142 135.9
[M]- 200.06542858 135.9
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.