CID 442729
7-chloroemodin
Structural Information
- Molecular Formula
- C15H9ClO5
- SMILES
- CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)Cl)O
- InChI
- InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3
- InChIKey
- AVSZOSVPTLSHOV-UHFFFAOYSA-N
- Compound name
- 2-chloro-1,3,8-trihydroxy-6-methylanthracene-9,10-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.02113 | 160.3 |
[M+Na]+ | 327.00307 | 173.5 |
[M-H]- | 303.00657 | 163.6 |
[M+NH4]+ | 322.04767 | 177.5 |
[M+K]+ | 342.97701 | 167.5 |
[M+H-H2O]+ | 287.01111 | 156.1 |
[M+HCOO]- | 349.01205 | 173.1 |
[M+CH3COO]- | 363.02770 | 200.9 |
[M+Na-2H]- | 324.98852 | 163.9 |
[M]+ | 304.01330 | 164.4 |
[M]- | 304.01440 | 164.4 |