CID 2763

Ciprofibrate

Structural Information

Molecular Formula

C₁₃H₁₄Cl₂O₃

SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl

InChI

InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)

InChIKey

KPSRODZRAIWAKH-UHFFFAOYSA-N

Compound name

2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 592
References: 16308
Patents: 288.032 Da
Monoisotopic Mass: 3.4
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]+	289.03928	152.6
[M+Na]+	311.02122	163.0
[M-H]-	287.02472	158.5
[M+NH4]+	306.06582	166.4
[M+K]+	326.99516	158.2
[M+H-H2O]+	271.02926	149.4
[M+HCOO]-	333.03020	163.7
[M+CH3COO]-	347.04585	198.4
[M+Na-2H]-	309.00667	157.5
[M]+	288.03145	159.9
[M]-	288.03255	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe