CID 520597
3-methoxy-5-nitrobenzotrifluoride
Structural Information
- Molecular Formula
- C8H6F3NO3
- SMILES
- COC1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F
- InChI
- InChI=1S/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3
- InChIKey
- NCPVPJVRLLHBEL-UHFFFAOYSA-N
- Compound name
- 1-methoxy-3-nitro-5-(trifluoromethyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 222.03726 | 139.0 |
[M+Na]+ | 244.01920 | 149.0 |
[M+NH4]+ | 239.06380 | 144.5 |
[M+K]+ | 259.99314 | 147.2 |
[M-H]- | 220.02270 | 137.0 |
[M+Na-2H]- | 242.00465 | 143.4 |
[M]+ | 221.02943 | 139.5 |
[M]- | 221.03053 | 139.5 |
Literature stripe
No literature data available for this compound.