CID 3015782
35450-53-4
Structural Information
- Molecular Formula
- C10H12ClNO3S
- SMILES
- CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)Cl
- InChI
- InChI=1S/C10H12ClNO3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)
- InChIKey
- VSHNWNOZERVVNK-UHFFFAOYSA-N
- Compound name
- 4-(2-acetamidoethyl)benzenesulfonyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 262.02992 | 153.2 |
[M+Na]+ | 284.01186 | 161.6 |
[M-H]- | 260.01536 | 157.3 |
[M+NH4]+ | 279.05646 | 171.1 |
[M+K]+ | 299.98580 | 157.1 |
[M+H-H2O]+ | 244.01990 | 148.3 |
[M+HCOO]- | 306.02084 | 167.3 |
[M+CH3COO]- | 320.03649 | 192.0 |
[M+Na-2H]- | 281.99731 | 156.7 |
[M]+ | 261.02209 | 158.2 |
[M]- | 261.02319 | 158.2 |
Literature stripe
No literature data available for this compound.