CID 50999526

2-bromo-6-chlorobenzenethiol

Structural Information

Molecular Formula
C6H4BrClS
SMILES
C1=CC(=C(C(=C1)Br)S)Cl
InChI
InChI=1S/C6H4BrClS/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
AOARFDRBHAFFOX-UHFFFAOYSA-N
Compound name
2-bromo-6-chlorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.89056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.89784 123.3
[M+Na]+ 244.87978 129.2
[M+NH4]+ 239.92438 130.6
[M+K]+ 260.85372 126.5
[M-H]- 220.88328 125.5
[M+Na-2H]- 242.86523 128.9
[M]+ 221.89001 124.4
[M]- 221.89111 124.4
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

patents stripe