CID 211993
23799-79-3
Structural Information
- Molecular Formula
- C10H10ClNS
- SMILES
- C1=CC2=C(C=C1Cl)C=C(S2)CCN
- InChI
- InChI=1S/C10H10ClNS/c11-8-1-2-10-7(5-8)6-9(13-10)3-4-12/h1-2,5-6H,3-4,12H2
- InChIKey
- XTOUTRPYYCKSGF-UHFFFAOYSA-N
- Compound name
- 2-(5-chloro-1-benzothiophen-2-yl)ethanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 212.02953 | 141.7 |
[M+Na]+ | 234.01147 | 153.5 |
[M-H]- | 210.01497 | 146.9 |
[M+NH4]+ | 229.05607 | 165.1 |
[M+K]+ | 249.98541 | 147.5 |
[M+H-H2O]+ | 194.01951 | 137.6 |
[M+HCOO]- | 256.02045 | 158.7 |
[M+CH3COO]- | 270.03610 | 156.1 |
[M+Na-2H]- | 231.99692 | 145.4 |
[M]+ | 211.02170 | 146.5 |
[M]- | 211.02280 | 146.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.