CID 11660520
Sga360
Structural Information
- Molecular Formula
- C19H17F3N2O2
- SMILES
- COC1=CC(=C(C=C1)C2=NN(C3=C2C=CC=C3C(F)(F)F)CC=C)OC
- InChI
- InChI=1S/C19H17F3N2O2/c1-4-10-24-18-14(6-5-7-15(18)19(20,21)22)17(23-24)13-9-8-12(25-2)11-16(13)26-3/h4-9,11H,1,10H2,2-3H3
- InChIKey
- BMIOASGFHBRKJL-UHFFFAOYSA-N
- Compound name
- 3-(2,4-dimethoxyphenyl)-1-prop-2-enyl-7-(trifluoromethyl)indazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 363.13148 | 184.5 |
[M+Na]+ | 385.11342 | 196.5 |
[M-H]- | 361.11692 | 186.8 |
[M+NH4]+ | 380.15802 | 197.9 |
[M+K]+ | 401.08736 | 189.9 |
[M+H-H2O]+ | 345.12146 | 173.2 |
[M+HCOO]- | 407.12240 | 202.0 |
[M+CH3COO]- | 421.13805 | 216.3 |
[M+Na-2H]- | 383.09887 | 186.4 |
[M]+ | 362.12365 | 187.5 |
[M]- | 362.12475 | 187.5 |