CID 82717173

1554828-16-8

Structural Information

Molecular Formula
C8H5ClF2O3
SMILES
C1=CC(=C(C=C1OC(C(=O)O)F)F)Cl
InChI
InChI=1S/C8H5ClF2O3/c9-5-2-1-4(3-6(5)10)14-7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKey
YRWPHDAIMAGMIJ-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-fluorophenoxy)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98953 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99681 136.1
[M+Na]+ 244.97875 146.0
[M-H]- 220.98225 136.4
[M+NH4]+ 240.02335 154.8
[M+K]+ 260.95269 142.5
[M+H-H2O]+ 204.98679 130.2
[M+HCOO]- 266.98773 151.9
[M+CH3COO]- 281.00338 184.2
[M+Na-2H]- 242.96420 139.2
[M]+ 221.98898 136.8
[M]- 221.99008 136.8
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.