CID 139022402

2229519-71-3

Structural Information

Molecular Formula
C10H8ClF3O2
SMILES
C1=CC(=C(C=C1F)Cl)C(CC(=O)O)C(F)F
InChI
InChI=1S/C10H8ClF3O2/c11-8-3-5(12)1-2-6(8)7(10(13)14)4-9(15)16/h1-3,7,10H,4H2,(H,15,16)
InChIKey
PVTZAEIUZLGPGN-UHFFFAOYSA-N
Compound name
3-(2-chloro-4-fluorophenyl)-4,4-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0165 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02378 144.8
[M+Na]+ 275.00572 153.7
[M-H]- 251.00922 143.5
[M+NH4]+ 270.05032 162.2
[M+K]+ 290.97966 149.2
[M+H-H2O]+ 235.01376 137.9
[M+HCOO]- 297.01470 157.7
[M+CH3COO]- 311.03035 191.8
[M+Na-2H]- 272.99117 145.0
[M]+ 252.01595 143.0
[M]- 252.01705 143.0
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.