CID 2757168

2-bromophenylthioethanol

Structural Information

Molecular Formula
C8H9BrOS
SMILES
C1=CC=C(C(=C1)SCCO)Br
InChI
InChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2
InChIKey
IQSSYWVFPQBQLS-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.95575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96303 129.8
[M+Na]+ 254.94497 133.4
[M+NH4]+ 249.98957 135.8
[M+K]+ 270.91891 131.6
[M-H]- 230.94847 131.0
[M+Na-2H]- 252.93042 134.1
[M]+ 231.95520 129.9
[M]- 231.95630 129.9
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

No patent data available for this compound.