CID 31060

Lifibrate

Structural Information

Molecular Formula
C20H21Cl2NO4
SMILES
CN1CCC(CC1)OC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3
InChIKey
QDGIAPPCJRFVEK-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2,2-bis(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

990
Patents

409.08478 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09206 191.2
[M+Na]+ 432.07400 205.7
[M+NH4]+ 427.11860 198.5
[M+K]+ 448.04794 197.6
[M-H]- 408.07750 195.9
[M+Na-2H]- 430.05945 199.1
[M]+ 409.08423 195.2
[M]- 409.08533 195.2
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