CID 5884447
70374-06-0
Structural Information
- Molecular Formula
- C16H10Cl2O3
- SMILES
- C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC(=C(C=C3)Cl)Cl
- InChI
- InChI=1S/C16H10Cl2O3/c17-12-4-3-11(8-13(12)18)14(19)5-1-10-2-6-15-16(7-10)21-9-20-15/h1-8H,9H2/b5-1+
- InChIKey
- KCLBODQDAWQYPQ-ORCRQEGFSA-N
- Compound name
- (E)-3-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorophenyl)prop-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.00798 | 171.6 |
[M+Na]+ | 342.98992 | 182.0 |
[M-H]- | 318.99342 | 180.0 |
[M+NH4]+ | 338.03452 | 187.5 |
[M+K]+ | 358.96386 | 177.3 |
[M+H-H2O]+ | 302.99796 | 166.4 |
[M+HCOO]- | 364.99890 | 182.7 |
[M+CH3COO]- | 379.01455 | 183.8 |
[M+Na-2H]- | 340.97537 | 174.5 |
[M]+ | 320.00015 | 177.5 |
[M]- | 320.00125 | 177.5 |
Literature stripe
No literature data available for this compound.