CID 21430675
2-(2,4-dimethylbenzoyl)furan
Structural Information
- Molecular Formula
- C13H12O2
- SMILES
- CC1=CC(=C(C=C1)C(=O)C2=CC=CO2)C
- InChI
- InChI=1S/C13H12O2/c1-9-5-6-11(10(2)8-9)13(14)12-4-3-7-15-12/h3-8H,1-2H3
- InChIKey
- XDTAFJKNEOCGPK-UHFFFAOYSA-N
- Compound name
- (2,4-dimethylphenyl)-(furan-2-yl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.09100 | 141.9 |
[M+Na]+ | 223.07294 | 150.9 |
[M-H]- | 199.07644 | 150.1 |
[M+NH4]+ | 218.11754 | 161.8 |
[M+K]+ | 239.04688 | 149.4 |
[M+H-H2O]+ | 183.08098 | 136.1 |
[M+HCOO]- | 245.08192 | 166.3 |
[M+CH3COO]- | 259.09757 | 185.2 |
[M+Na-2H]- | 221.05839 | 146.4 |
[M]+ | 200.08317 | 144.5 |
[M]- | 200.08427 | 144.5 |
Literature stripe
No literature data available for this compound.