CID 165942513
2-(difluoromethoxy)-5-ethynylpyridine
Structural Information
- Molecular Formula
- C8H5F2NO
- SMILES
- C#CC1=CN=C(C=C1)OC(F)F
- InChI
- InChI=1S/C8H5F2NO/c1-2-6-3-4-7(11-5-6)12-8(9)10/h1,3-5,8H
- InChIKey
- UGHVENKEZRJLHO-UHFFFAOYSA-N
- Compound name
- 2-(difluoromethoxy)-5-ethynylpyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 170.04120 | 126.3 |
[M+Na]+ | 192.02314 | 136.9 |
[M-H]- | 168.02664 | 124.6 |
[M+NH4]+ | 187.06774 | 143.1 |
[M+K]+ | 207.99708 | 133.8 |
[M+H-H2O]+ | 152.03118 | 112.3 |
[M+HCOO]- | 214.03212 | 141.6 |
[M+CH3COO]- | 228.04777 | 187.2 |
[M+Na-2H]- | 190.00859 | 131.4 |
[M]+ | 169.03337 | 119.2 |
[M]- | 169.03447 | 119.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.