CID 79356741

2-(4-chlorophenoxy)-2-fluoroacetic acid

Structural Information

Molecular Formula
C8H6ClFO3
SMILES
C1=CC(=CC=C1OC(C(=O)O)F)Cl
InChI
InChI=1S/C8H6ClFO3/c9-5-1-3-6(4-2-5)13-7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKey
AIXMHUANDZEIEA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.99895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.006226 134.7
[M+Na]+ 226.988168 143.6
[M-H]- 202.991674 136.1
[M+NH4]+ 222.032773 153.9
[M+K]+ 242.962108 140.5
[M+H-H2O]+ 186.996210 129.5
[M+HCOO]- 248.997151 151.5
[M+CH3COO]- 263.012801 180.3
[M+Na-2H]- 224.973616 139.0
[M]+ 203.99840142 136.1
[M]- 203.99949858 136.1
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

patents stripe