CID 2796

Clofibrate

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
InChIKey
KNHUKKLJHYUCFP-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

4452
References

60076
Patents

242.07097 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 151.1
[M+Na]+ 265.06019 159.5
[M-H]- 241.06369 155.0
[M+NH4]+ 260.10479 169.9
[M+K]+ 281.03413 156.8
[M+H-H2O]+ 225.06823 146.4
[M+HCOO]- 287.06917 168.6
[M+CH3COO]- 301.08482 191.0
[M+Na-2H]- 263.04564 156.3
[M]+ 242.07042 157.1
[M]- 242.07152 157.1
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

No patent data available for this compound.