CID 2757168

117341-28-3

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 132.6
[M+Na]+ 254.94497 144.6
[M-H]- 230.94847 138.1
[M+NH4]+ 249.98957 154.5
[M+K]+ 270.91891 132.4
[M+H-H2O]+ 214.95301 133.5
[M+HCOO]- 276.95395 148.9
[M+CH3COO]- 290.96960 183.2
[M+Na-2H]- 252.93042 138.7
[M]+ 231.95520 152.8
[M]- 231.95630 152.8
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.