CID 9574776
165549-95-1
Structural Information
- Molecular Formula
- C14H19ClN2O3S
- SMILES
- CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OC/C(=N/OC)/C
- InChI
- InChI=1S/C14H19ClN2O3S/c1-9(2)20-14(21)16-11-5-6-12(15)13(7-11)19-8-10(3)17-18-4/h5-7,9H,8H2,1-4H3,(H,16,21)/b17-10+
- InChIKey
- KXSVLWPNQFSAPP-LICLKQGHSA-N
- Compound name
- O-propan-2-yl N-[4-chloro-3-[(2E)-2-methoxyiminopropoxy]phenyl]carbamothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.08778 | 174.8 |
[M+Na]+ | 353.06972 | 180.8 |
[M-H]- | 329.07322 | 179.7 |
[M+NH4]+ | 348.11432 | 190.4 |
[M+K]+ | 369.04366 | 177.4 |
[M+H-H2O]+ | 313.07776 | 168.4 |
[M+HCOO]- | 375.07870 | 189.3 |
[M+CH3COO]- | 389.09435 | 213.4 |
[M+Na-2H]- | 351.05517 | 173.7 |
[M]+ | 330.07995 | 182.6 |
[M]- | 330.08105 | 182.6 |
Literature stripe
Patent stripe
No patent data available for this compound.