CID 79366875

2-(2,3-dichlorophenyl)-2-fluoroacetic acid

Structural Information

Molecular Formula
C8H5Cl2FO2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(C(=O)O)F
InChI
InChI=1S/C8H5Cl2FO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKey
LXBJBHGMSWEPGQ-UHFFFAOYSA-N
Compound name
2-(2,3-dichlorophenyl)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.96506 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.97234 135.6
[M+Na]+ 244.95428 145.9
[M-H]- 220.95778 136.7
[M+NH4]+ 239.99888 154.9
[M+K]+ 260.92822 140.8
[M+H-H2O]+ 204.96232 131.9
[M+HCOO]- 266.96326 147.3
[M+CH3COO]- 280.97891 184.1
[M+Na-2H]- 242.93973 138.7
[M]+ 221.96451 137.2
[M]- 221.96561 137.2
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.