CID 18703

3307-39-9

Structural Information

Molecular Formula
C9H9ClO3
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKey
DKHJWWRYTONYHB-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

4714
Patents

200.02402 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 138.1
[M+Na]+ 223.01324 150.7
[M+NH4]+ 218.05784 146.0
[M+K]+ 238.98718 145.4
[M-H]- 199.01674 138.9
[M+Na-2H]- 220.99869 144.0
[M]+ 200.02347 140.2
[M]- 200.02457 140.2
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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