CID 64928

Clofop

Structural Information

Molecular Formula

C₁₅H₁₃ClO₄

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)

InChIKey

BSFAVVHPEZCASB-UHFFFAOYSA-N

Compound name

2-[4-(4-chlorophenoxy)phenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 240
References: 5526
Patents: 292.05023 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.05751	162.3
[M+Na]+	315.03945	176.5
[M+NH4]+	310.08405	169.9
[M+K]+	331.01339	170.0
[M-H]-	291.04295	165.4
[M+Na-2H]-	313.02490	170.2
[M]+	292.04968	165.5
[M]-	292.05078	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe