CID 2451159
N-[4-(chloromethyl)-2-oxo-2h-chromen-7-yl]acetamide
Structural Information
- Molecular Formula
- C12H10ClNO3
- SMILES
- CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CCl
- InChI
- InChI=1S/C12H10ClNO3/c1-7(15)14-9-2-3-10-8(6-13)4-12(16)17-11(10)5-9/h2-5H,6H2,1H3,(H,14,15)
- InChIKey
- MKZQSJKIOFTYIB-UHFFFAOYSA-N
- Compound name
- N-[4-(chloromethyl)-2-oxochromen-7-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 252.04221 | 150.6 |
[M+Na]+ | 274.02415 | 161.2 |
[M-H]- | 250.02765 | 156.6 |
[M+NH4]+ | 269.06875 | 168.7 |
[M+K]+ | 289.99809 | 158.0 |
[M+H-H2O]+ | 234.03219 | 145.2 |
[M+HCOO]- | 296.03313 | 169.7 |
[M+CH3COO]- | 310.04878 | 194.8 |
[M+Na-2H]- | 272.00960 | 157.9 |
[M]+ | 251.03438 | 155.9 |
[M]- | 251.03548 | 155.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.