CID 12474093

4-(4-bromophenyl)-2-thiazolethiol

Structural Information

Molecular Formula
C9H6BrNS2
SMILES
C1=CC(=CC=C1C2=CSC(=S)N2)Br
InChI
InChI=1S/C9H6BrNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
QNNMMIMBOFCDQK-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1643
Patents

270.9125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.91978 132.5
[M+Na]+ 293.90172 148.1
[M-H]- 269.90522 140.6
[M+NH4]+ 288.94632 154.2
[M+K]+ 309.87566 133.7
[M+H-H2O]+ 253.90976 134.2
[M+HCOO]- 315.91070 145.1
[M+CH3COO]- 329.92635 148.5
[M+Na-2H]- 291.88717 136.3
[M]+ 270.91195 151.7
[M]- 270.91305 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe