CID 17531
Azinphos-ethyl
Structural Information
- Molecular Formula
- C12H16N3O3PS2
- SMILES
- CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1
- InChI
- InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3
- InChIKey
- RQVGAIADHNPSME-UHFFFAOYSA-N
- Compound name
- 3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 346.04436 | 169.3 |
[M+Na]+ | 368.02630 | 178.1 |
[M-H]- | 344.02980 | 168.4 |
[M+NH4]+ | 363.07090 | 181.0 |
[M+K]+ | 384.00024 | 173.1 |
[M+H-H2O]+ | 328.03434 | 159.0 |
[M+HCOO]- | 390.03528 | 183.5 |
[M+CH3COO]- | 404.05093 | 208.1 |
[M+Na-2H]- | 366.01175 | 170.5 |
[M]+ | 345.03653 | 176.6 |
[M]- | 345.03763 | 176.6 |