CID 119032046
2-(2,3,5-trifluorophenyl)propanedinitrile
Structural Information
- Molecular Formula
- C9H3F3N2
- SMILES
- C1=C(C=C(C(=C1C(C#N)C#N)F)F)F
- InChI
- InChI=1S/C9H3F3N2/c10-6-1-7(5(3-13)4-14)9(12)8(11)2-6/h1-2,5H
- InChIKey
- VQLDASZDPSMLRZ-UHFFFAOYSA-N
- Compound name
- 2-(2,3,5-trifluorophenyl)propanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.03211 | 142.5 |
[M+Na]+ | 219.01405 | 153.2 |
[M-H]- | 195.01755 | 143.6 |
[M+NH4]+ | 214.05865 | 155.3 |
[M+K]+ | 234.98799 | 149.8 |
[M+H-H2O]+ | 179.02209 | 126.3 |
[M+HCOO]- | 241.02303 | 153.4 |
[M+CH3COO]- | 255.03868 | 217.4 |
[M+Na-2H]- | 216.99950 | 143.8 |
[M]+ | 196.02428 | 132.2 |
[M]- | 196.02538 | 132.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.