CID 20137760

3-bromo-2-sulfanylphenol

Structural Information

Molecular Formula
C6H5BrOS
SMILES
C1=CC(=C(C(=C1)Br)S)O
InChI
InChI=1S/C6H5BrOS/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey
OWBBRFRBGPBRJC-UHFFFAOYSA-N
Compound name
3-bromo-2-sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

203.92445 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.93173 120.7
[M+Na]+ 226.91367 125.0
[M+NH4]+ 221.95827 127.0
[M+K]+ 242.88761 123.8
[M-H]- 202.91717 122.0
[M+Na-2H]- 224.89912 125.4
[M]+ 203.92390 121.0
[M]- 203.92500 121.0
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