CID 72227406

4-bromo-3-(methylsulfanyl)phenol

Structural Information

Molecular Formula
C7H7BrOS
SMILES
CSC1=C(C=CC(=C1)O)Br
InChI
InChI=1S/C7H7BrOS/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
InChIKey
WXZYUVMTARLYSO-UHFFFAOYSA-N
Compound name
4-bromo-3-methylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.9401 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94738 125.2
[M+Na]+ 240.92932 129.3
[M+NH4]+ 235.97392 131.3
[M+K]+ 256.90326 127.9
[M-H]- 216.93282 126.4
[M+Na-2H]- 238.91477 129.6
[M]+ 217.93955 125.4
[M]- 217.94065 125.4
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.