CID 82048961

1216117-17-7

Structural Information

Molecular Formula
C12H12F2O2
SMILES
C1CC1C(CC(=O)O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C12H12F2O2/c13-10-4-3-8(5-11(10)14)9(6-12(15)16)7-1-2-7/h3-5,7,9H,1-2,6H2,(H,15,16)
InChIKey
IVCQMJNKNPBJPU-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-(3,4-difluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08054 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08782 140.3
[M+Na]+ 249.06976 149.3
[M-H]- 225.07326 144.1
[M+NH4]+ 244.11436 153.1
[M+K]+ 265.04370 145.3
[M+H-H2O]+ 209.07780 132.2
[M+HCOO]- 271.07874 159.6
[M+CH3COO]- 285.09439 191.8
[M+Na-2H]- 247.05521 142.5
[M]+ 226.07999 140.1
[M]- 226.08109 140.1
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.