CID 7018873
2-butynyl p-toluenesulfonate
Structural Information
- Molecular Formula
- C11H12O3S
- SMILES
- CC#CCOS(=O)(=O)C1=CC=C(C=C1)C
- InChI
- InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3
- InChIKey
- HGZKJNHJABSJTC-UHFFFAOYSA-N
- Compound name
- but-2-ynyl 4-methylbenzenesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.05800 | 154.5 |
[M+Na]+ | 247.03994 | 165.6 |
[M-H]- | 223.04344 | 157.8 |
[M+NH4]+ | 242.08454 | 171.6 |
[M+K]+ | 263.01388 | 161.8 |
[M+H-H2O]+ | 207.04798 | 143.1 |
[M+HCOO]- | 269.04892 | 167.4 |
[M+CH3COO]- | 283.06457 | 192.5 |
[M+Na-2H]- | 245.02539 | 157.1 |
[M]+ | 224.05017 | 153.6 |
[M]- | 224.05127 | 153.6 |
Literature stripe
No literature data available for this compound.