CID 165965480

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 139.4
[M+Na]+ 223.05410 146.3
[M-H]- 199.05760 139.1
[M+NH4]+ 218.09870 157.6
[M+K]+ 239.02804 144.1
[M+H-H2O]+ 183.06214 132.6
[M+HCOO]- 245.06308 157.1
[M+CH3COO]- 259.07873 182.3
[M+Na-2H]- 221.03955 143.7
[M]+ 200.06433 135.9
[M]- 200.06543 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.