CID 11497

3-chlorophenoxyacetic acid

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

2
References

542
Patents

186.00838 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 133.5
[M+Na]+ 208.99760 146.6
[M+NH4]+ 204.04220 141.7
[M+K]+ 224.97154 140.8
[M-H]- 185.00110 134.5
[M+Na-2H]- 206.98305 140.1
[M]+ 186.00783 135.8
[M]- 186.00893 135.8
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

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