CID 19077

4-(4-chlorophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
C1=CC(=CC=C1OCCCC(=O)O)Cl
InChI
InChI=1S/C10H11ClO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChIKey
SIYAHZSHQIPQLY-UHFFFAOYSA-N
Compound name
4-(4-chlorophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3750
Patents

214.03967 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

patents stripe