CID 26229

4-chlorophenoxyacetic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
C1=CC(=CC=C1OCC(=O)O)Cl
InChI
InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
SODPIMGUZLOIPE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

98
References

19230
Patents

186.00838 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 132.8
[M+Na]+ 208.997598 141.9
[M-H]- 185.001104 135.5
[M+NH4]+ 204.042203 152.9
[M+K]+ 224.971538 138.8
[M+H-H2O]+ 169.005640 128.5
[M+HCOO]- 231.006581 151.6
[M+CH3COO]- 245.022231 176.7
[M+Na-2H]- 206.983046 138.8
[M]+ 186.00783142 135.9
[M]- 186.00892858 135.9
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