CID 78766
5081-87-8
Structural Information
- Molecular Formula
- C10H9ClN2O2
- SMILES
- C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCl
- InChI
- InChI=1S/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)
- InChIKey
- HWFSVCPXNLEACG-UHFFFAOYSA-N
- Compound name
- 3-(2-chloroethyl)-1H-quinazoline-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.04253 | 143.3 |
[M+Na]+ | 247.02447 | 159.2 |
[M+NH4]+ | 242.06907 | 151.2 |
[M+K]+ | 262.99841 | 151.6 |
[M-H]- | 223.02797 | 144.3 |
[M+Na-2H]- | 245.00992 | 150.1 |
[M]+ | 224.03470 | 146.1 |
[M]- | 224.03580 | 146.1 |