CID 223069

(2-chloro-4-fluorophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6ClFO3
SMILES
C1=CC(=C(C=C1F)Cl)OCC(=O)O
InChI
InChI=1S/C8H6ClFO3/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
ZCRBVVKRZYTNFM-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

203.99895 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.006226 134.2
[M+Na]+ 226.988168 144.3
[M-H]- 202.991674 135.9
[M+NH4]+ 222.032773 153.8
[M+K]+ 242.962108 140.8
[M+H-H2O]+ 186.996210 129.2
[M+HCOO]- 248.997151 152.0
[M+CH3COO]- 263.012801 180.5
[M+Na-2H]- 224.973616 139.1
[M]+ 203.99840142 136.6
[M]- 203.99949858 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe