CID 3021796
1h-pyrrole, 2-methyl-5-(5,6,7,8-tetrahydro-2-naphthalenyl)-1-(3-(trifluoromethyl)phenyl)-
Structural Information
- Molecular Formula
- C22H20F3N
- SMILES
- CC1=CC=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC4=C(CCCC4)C=C3
- InChI
- InChI=1S/C22H20F3N/c1-15-9-12-21(18-11-10-16-5-2-3-6-17(16)13-18)26(15)20-8-4-7-19(14-20)22(23,24)25/h4,7-14H,2-3,5-6H2,1H3
- InChIKey
- IUVZDFSSVXKHOG-UHFFFAOYSA-N
- Compound name
- 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 356.16208 | 185.4 |
[M+Na]+ | 378.14402 | 193.5 |
[M-H]- | 354.14752 | 190.6 |
[M+NH4]+ | 373.18862 | 199.5 |
[M+K]+ | 394.11796 | 185.6 |
[M+H-H2O]+ | 338.15206 | 173.5 |
[M+HCOO]- | 400.15300 | 199.7 |
[M+CH3COO]- | 414.16865 | 194.7 |
[M+Na-2H]- | 376.12947 | 185.3 |
[M]+ | 355.15425 | 179.5 |
[M]- | 355.15535 | 179.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.