CID 919418
3028-02-2
Structural Information
- Molecular Formula
- C9H7ClN2OS
- SMILES
- C1=CC=C2C(=C1)N=C(S2)NC(=O)CCl
- InChI
- InChI=1S/C9H7ClN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12,13)
- InChIKey
- CMUZFXFDVGLPGO-UHFFFAOYSA-N
- Compound name
- N-(1,3-benzothiazol-2-yl)-2-chloroacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.00405 | 143.8 |
[M+Na]+ | 248.98599 | 154.9 |
[M-H]- | 224.98949 | 148.0 |
[M+NH4]+ | 244.03059 | 165.0 |
[M+K]+ | 264.95993 | 150.0 |
[M+H-H2O]+ | 208.99403 | 138.6 |
[M+HCOO]- | 270.99497 | 159.9 |
[M+CH3COO]- | 285.01062 | 157.6 |
[M+Na-2H]- | 246.97144 | 148.6 |
[M]+ | 225.99622 | 149.3 |
[M]- | 225.99732 | 149.3 |