CID 81598

3-(2-chlorophenoxy)propionic acid

Structural Information

Molecular Formula
C9H9ClO3
SMILES
C1=CC=C(C(=C1)OCCC(=O)O)Cl
InChI
InChI=1S/C9H9ClO3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
UZFYWLRSVDZCSF-UHFFFAOYSA-N
Compound name
3-(2-chlorophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

200.02402 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 137.5
[M+Na]+ 223.01324 146.2
[M-H]- 199.01674 140.0
[M+NH4]+ 218.05784 157.0
[M+K]+ 238.98718 142.8
[M+H-H2O]+ 183.02128 133.0
[M+HCOO]- 245.02222 156.0
[M+CH3COO]- 259.03787 179.7
[M+Na-2H]- 220.99869 143.0
[M]+ 200.02347 141.0
[M]- 200.02457 141.0
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