CID 85617064
4-(nonafluorobutyl)benzonitrile
Structural Information
- Molecular Formula
- C11H4F9N
- SMILES
- C1=CC(=CC=C1C#N)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C11H4F9N/c12-8(13,7-3-1-6(5-21)2-4-7)9(14,15)10(16,17)11(18,19)20/h1-4H
- InChIKey
- BBSJQRPSLLFZNT-UHFFFAOYSA-N
- Compound name
- 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 322.02728 | 157.5 |
[M+Na]+ | 344.00922 | 167.5 |
[M-H]- | 320.01272 | 150.5 |
[M+NH4]+ | 339.05382 | 169.5 |
[M+K]+ | 359.98316 | 163.8 |
[M+H-H2O]+ | 304.01726 | 139.5 |
[M+HCOO]- | 366.01820 | 163.4 |
[M+CH3COO]- | 380.03385 | 216.3 |
[M+Na-2H]- | 341.99467 | 161.0 |
[M]+ | 321.01945 | 140.3 |
[M]- | 321.02055 | 140.3 |
Literature stripe
No literature data available for this compound.