CID 371317
Nsc645391
Structural Information
- Molecular Formula
- C16H13ClO4
- SMILES
- CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)C
- InChI
- InChI=1S/C16H13ClO4/c1-7-8(2)16(19)21-15-9(3)14-12(4-11(7)15)13(18)10(5-17)6-20-14/h4,6H,5H2,1-3H3
- InChIKey
- KWEJDYVGJIICCR-UHFFFAOYSA-N
- Compound name
- 7-(chloromethyl)-3,4,10-trimethylpyrano[3,2-g]chromene-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.05751 | 163.6 |
[M+Na]+ | 327.03945 | 179.5 |
[M-H]- | 303.04295 | 172.7 |
[M+NH4]+ | 322.08405 | 180.6 |
[M+K]+ | 343.01339 | 176.4 |
[M+H-H2O]+ | 287.04749 | 157.7 |
[M+HCOO]- | 349.04843 | 181.4 |
[M+CH3COO]- | 363.06408 | 206.9 |
[M+Na-2H]- | 325.02490 | 171.3 |
[M]+ | 304.04968 | 175.6 |
[M]- | 304.05078 | 175.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.