CID 51894
2-mercaptoethyl 2,5-dichlorocarbanilate
Structural Information
- Molecular Formula
- C9H9Cl2NO2S
- SMILES
- C1=CC(=C(C=C1Cl)NC(=O)OCCS)Cl
- InChI
- InChI=1S/C9H9Cl2NO2S/c10-6-1-2-7(11)8(5-6)12-9(13)14-3-4-15/h1-2,5,15H,3-4H2,(H,12,13)
- InChIKey
- ZJIFMHJRHKCSEP-UHFFFAOYSA-N
- Compound name
- 2-sulfanylethyl N-(2,5-dichlorophenyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.98038 | 150.6 |
[M+Na]+ | 287.96232 | 159.9 |
[M-H]- | 263.96582 | 154.4 |
[M+NH4]+ | 283.00692 | 169.2 |
[M+K]+ | 303.93626 | 154.7 |
[M+H-H2O]+ | 247.97036 | 146.8 |
[M+HCOO]- | 309.97130 | 160.9 |
[M+CH3COO]- | 323.98695 | 193.2 |
[M+Na-2H]- | 285.94777 | 152.5 |
[M]+ | 264.97255 | 156.9 |
[M]- | 264.97365 | 156.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.