CID 9855919

2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole

Structural Information

Molecular Formula
C7H8BrNS
SMILES
C1CCC2=C(C1)N=C(S2)Br
InChI
InChI=1S/C7H8BrNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2
InChIKey
ZOKVOUATOUMFEK-UHFFFAOYSA-N
Compound name
2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

216.95609 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96337 130.0
[M+Na]+ 239.94531 132.7
[M+NH4]+ 234.98991 136.8
[M+K]+ 255.91925 132.1
[M-H]- 215.94881 131.0
[M+Na-2H]- 237.93076 132.7
[M]+ 216.95554 129.8
[M]- 216.95664 129.8
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