CID 64535165
Methyl 3-(3,4-difluorophenyl)propiolate
Structural Information
- Molecular Formula
- C10H6F2O2
- SMILES
- COC(=O)C#CC1=CC(=C(C=C1)F)F
- InChI
- InChI=1S/C10H6F2O2/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2,4,6H,1H3
- InChIKey
- XPVPTNHFNZIBAB-UHFFFAOYSA-N
- Compound name
- methyl 3-(3,4-difluorophenyl)prop-2-ynoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 197.04086 | 135.0 |
[M+Na]+ | 219.02280 | 146.5 |
[M-H]- | 195.02630 | 135.2 |
[M+NH4]+ | 214.06740 | 152.6 |
[M+K]+ | 234.99674 | 142.7 |
[M+H-H2O]+ | 179.03084 | 122.1 |
[M+HCOO]- | 241.03178 | 151.5 |
[M+CH3COO]- | 255.04743 | 190.4 |
[M+Na-2H]- | 217.00825 | 138.3 |
[M]+ | 196.03303 | 129.0 |
[M]- | 196.03413 | 129.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.