CID 78097
Nsc 11851
Structural Information
- Molecular Formula
- C14H10O4
- SMILES
- CC1=CC(=O)C(=O)C=C1C2=CC(=O)C(=O)C=C2C
- InChI
- InChI=1S/C14H10O4/c1-7-3-11(15)13(17)5-9(7)10-6-14(18)12(16)4-8(10)2/h3-6H,1-2H3
- InChIKey
- BWZTUXCLGZTTAB-UHFFFAOYSA-N
- Compound name
- 4-methyl-5-(6-methyl-3,4-dioxocyclohexa-1,5-dien-1-yl)cyclohexa-3,5-diene-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 243.06518 | 146.1 |
[M+Na]+ | 265.04712 | 157.1 |
[M-H]- | 241.05062 | 154.2 |
[M+NH4]+ | 260.09172 | 164.4 |
[M+K]+ | 281.02106 | 153.9 |
[M+H-H2O]+ | 225.05516 | 139.8 |
[M+HCOO]- | 287.05610 | 169.3 |
[M+CH3COO]- | 301.07175 | 195.0 |
[M+Na-2H]- | 263.03257 | 148.5 |
[M]+ | 242.05735 | 147.8 |
[M]- | 242.05845 | 147.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.