CID 513101
6-chloro-3-[(4-chlorophenyl)methyl]chromen-4-one
Structural Information
- Molecular Formula
- C16H10Cl2O2
- SMILES
- C1=CC(=CC=C1CC2=COC3=C(C2=O)C=C(C=C3)Cl)Cl
- InChI
- InChI=1S/C16H10Cl2O2/c17-12-3-1-10(2-4-12)7-11-9-20-15-6-5-13(18)8-14(15)16(11)19/h1-6,8-9H,7H2
- InChIKey
- TYGCSMFETMMFKY-UHFFFAOYSA-N
- Compound name
- 6-chloro-3-[(4-chlorophenyl)methyl]chromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.01308 | 163.6 |
[M+Na]+ | 326.99502 | 176.0 |
[M-H]- | 302.99852 | 171.8 |
[M+NH4]+ | 322.03962 | 180.1 |
[M+K]+ | 342.96896 | 169.9 |
[M+H-H2O]+ | 287.00306 | 157.4 |
[M+HCOO]- | 349.00400 | 176.9 |
[M+CH3COO]- | 363.01965 | 176.7 |
[M+Na-2H]- | 324.98047 | 170.1 |
[M]+ | 304.00525 | 170.0 |
[M]- | 304.00635 | 170.0 |
Literature stripe
Patent stripe
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