CID 25324440
(1r)-1-(4-methanesulfonylphenyl)ethan-1-ol
Structural Information
- Molecular Formula
- C9H12O3S
- SMILES
- C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)O
- InChI
- InChI=1S/C9H12O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-7,10H,1-2H3/t7-/m1/s1
- InChIKey
- NYXCSMWVRWOPJP-SSDOTTSWSA-N
- Compound name
- (1R)-1-(4-methylsulfonylphenyl)ethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 201.05800 | 139.7 |
[M+Na]+ | 223.03994 | 148.1 |
[M-H]- | 199.04344 | 142.6 |
[M+NH4]+ | 218.08454 | 158.9 |
[M+K]+ | 239.01388 | 145.5 |
[M+H-H2O]+ | 183.04798 | 134.7 |
[M+HCOO]- | 245.04892 | 155.9 |
[M+CH3COO]- | 259.06457 | 179.3 |
[M+Na-2H]- | 221.02539 | 143.1 |
[M]+ | 200.05017 | 142.1 |
[M]- | 200.05127 | 142.1 |
Literature stripe
No literature data available for this compound.