CID 105452628

2,2-difluoro-3-(3-methylphenyl)propanoic acid

Structural Information

Molecular Formula
C10H10F2O2
SMILES
CC1=CC(=CC=C1)CC(C(=O)O)(F)F
InChI
InChI=1S/C10H10F2O2/c1-7-3-2-4-8(5-7)6-10(11,12)9(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
YKSDWHXGKKZXTD-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-(3-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07216 144.2
[M+Na]+ 223.05410 154.0
[M+NH4]+ 218.09870 150.3
[M+K]+ 239.02804 149.2
[M-H]- 199.05760 141.8
[M+Na-2H]- 221.03955 148.5
[M]+ 200.06433 144.7
[M]- 200.06543 144.7
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.