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
5
Annotation Hits

591
References

15914
Patents

288.032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03928 160.5
[M+Na]+ 311.02122 174.8
[M+NH4]+ 306.06582 170.1
[M+K]+ 326.99516 168.5
[M-H]- 287.02472 168.8
[M+Na-2H]- 309.00667 170.5
[M]+ 288.03145 166.8
[M]- 288.03255 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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