CID 3014343

4-(2-chlorophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
C1=CC=C(C(=C1)OCCCC(=O)O)Cl
InChI
InChI=1S/C10H11ClO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKey
VWIPYKNRDUDVDQ-UHFFFAOYSA-N
Compound name
4-(2-chlorophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

214.03967 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.3
[M+Na]+ 237.02889 150.5
[M-H]- 213.03239 144.6
[M+NH4]+ 232.07349 161.2
[M+K]+ 253.00283 146.9
[M+H-H2O]+ 197.03693 137.5
[M+HCOO]- 259.03787 160.4
[M+CH3COO]- 273.05352 182.7
[M+Na-2H]- 235.01434 147.2
[M]+ 214.03912 146.1
[M]- 214.04022 146.1
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