CID 73013097

2-bromo-5-(methylsulfanyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.9401 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94738 127.4
[M+Na]+ 240.92932 140.7
[M-H]- 216.93282 133.5
[M+NH4]+ 235.97392 150.1
[M+K]+ 256.90326 128.7
[M+H-H2O]+ 200.93736 128.7
[M+HCOO]- 262.93830 144.1
[M+CH3COO]- 276.95395 181.4
[M+Na-2H]- 238.91477 133.5
[M]+ 217.93955 147.7
[M]- 217.94065 147.7
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