CID 19824439

4-bromo-2(3h)-benzothiazolethione

Structural Information

Molecular Formula
C7H4BrNS2
SMILES
C1=CC2=C(C(=C1)Br)NC(=S)S2
InChI
InChI=1S/C7H4BrNS2/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
InChIKey
CNIJVNGILLYJHJ-UHFFFAOYSA-N
Compound name
4-bromo-3H-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

244.89685 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.90413 123.9
[M+Na]+ 267.88607 141.2
[M-H]- 243.88957 130.4
[M+NH4]+ 262.93067 148.0
[M+K]+ 283.86001 127.3
[M+H-H2O]+ 227.89411 126.6
[M+HCOO]- 289.89505 136.9
[M+CH3COO]- 303.91070 140.9
[M+Na-2H]- 265.87152 130.3
[M]+ 244.89630 145.2
[M]- 244.89740 145.2
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