CID 11276017

5-bromo-2-methoxybenzene-1-thiol

Structural Information

Molecular Formula
C7H7BrOS
SMILES
COC1=C(C=C(C=C1)Br)S
InChI
InChI=1S/C7H7BrOS/c1-9-6-3-2-5(8)4-7(6)10/h2-4,10H,1H3
InChIKey
NVWMBFHESONALO-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

217.9401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94738 124.4
[M+Na]+ 240.92932 129.0
[M+NH4]+ 235.97392 130.9
[M+K]+ 256.90326 127.3
[M-H]- 216.93282 126.1
[M+Na-2H]- 238.91477 129.3
[M]+ 217.93955 124.9
[M]- 217.94065 124.9
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

patents stripe