CID 1747516
Coumarin, 7-(3-chloropropoxy)-4-methyl-
Structural Information
- Molecular Formula
- C13H13ClO3
- SMILES
- CC1=CC(=O)OC2=C1C=CC(=C2)OCCCCl
- InChI
- InChI=1S/C13H13ClO3/c1-9-7-13(15)17-12-8-10(3-4-11(9)12)16-6-2-5-14/h3-4,7-8H,2,5-6H2,1H3
- InChIKey
- GGWDQCBLLZHCBH-UHFFFAOYSA-N
- Compound name
- 7-(3-chloropropoxy)-4-methylchromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 253.06261 | 151.1 |
[M+Na]+ | 275.04455 | 162.1 |
[M-H]- | 251.04805 | 156.8 |
[M+NH4]+ | 270.08915 | 169.6 |
[M+K]+ | 291.01849 | 158.7 |
[M+H-H2O]+ | 235.05259 | 145.6 |
[M+HCOO]- | 297.05353 | 169.6 |
[M+CH3COO]- | 311.06918 | 193.4 |
[M+Na-2H]- | 273.03000 | 158.7 |
[M]+ | 252.05478 | 158.8 |
[M]- | 252.05588 | 158.8 |