CID 13337385

2-bromo-1-(4-methanesulfonylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H11BrO3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(CBr)O
InChI
InChI=1S/C9H11BrO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKey
SDDHFFNZCDQTFW-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-methylsulfonylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.96124 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96852 143.3
[M+Na]+ 300.95046 155.0
[M-H]- 276.95396 148.8
[M+NH4]+ 295.99506 163.1
[M+K]+ 316.92440 143.1
[M+H-H2O]+ 260.95850 144.0
[M+HCOO]- 322.95944 157.6
[M+CH3COO]- 336.97509 189.4
[M+Na-2H]- 298.93591 148.6
[M]+ 277.96069 164.2
[M]- 277.96179 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe