CID 84762861
2-(3,3-difluorocyclopentyl)acetonitrile
Structural Information
- Molecular Formula
- C7H9F2N
- SMILES
- C1CC(CC1CC#N)(F)F
- InChI
- InChI=1S/C7H9F2N/c8-7(9)3-1-6(5-7)2-4-10/h6H,1-3,5H2
- InChIKey
- NWTHVXPAXKKBCJ-UHFFFAOYSA-N
- Compound name
- 2-(3,3-difluorocyclopentyl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 146.07759 | 122.8 |
[M+Na]+ | 168.05953 | 133.3 |
[M-H]- | 144.06303 | 124.0 |
[M+NH4]+ | 163.10413 | 145.6 |
[M+K]+ | 184.03347 | 129.9 |
[M+H-H2O]+ | 128.06757 | 110.6 |
[M+HCOO]- | 190.06851 | 140.8 |
[M+CH3COO]- | 204.08416 | 186.7 |
[M+Na-2H]- | 166.04498 | 127.6 |
[M]+ | 145.06976 | 113.8 |
[M]- | 145.07086 | 113.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.