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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 410.09206 | 190.3 |
[M+Na]+ | 432.07400 | 195.7 |
[M-H]- | 408.07750 | 196.9 |
[M+NH4]+ | 427.11860 | 200.2 |
[M+K]+ | 448.04794 | 190.6 |
[M+H-H2O]+ | 392.08204 | 181.1 |
[M+HCOO]- | 454.08298 | 197.7 |
[M+CH3COO]- | 468.09863 | 219.1 |
[M+Na-2H]- | 430.05945 | 189.4 |
[M]+ | 409.08423 | 193.6 |
[M]- | 409.08533 | 193.6 |