CID 2801273

5-bromobenzo[d]thiazol-2(3h)-one

Structural Information

Molecular Formula
C7H4BrNOS
SMILES
C1=CC2=C(C=C1Br)NC(=O)S2
InChI
InChI=1S/C7H4BrNOS/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
BNWQDLHPYANRAV-UHFFFAOYSA-N
Compound name
5-bromo-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

228.9197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.92698 129.3
[M+Na]+ 251.90892 133.9
[M+NH4]+ 246.95352 135.3
[M+K]+ 267.88286 133.6
[M-H]- 227.91242 129.9
[M+Na-2H]- 249.89437 133.2
[M]+ 228.91915 129.4
[M]- 228.92025 129.4
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