CID 9942463

2-bromo-5,6-dihydro-4h-cyclopenta[d]thiazole

Structural Information

Molecular Formula
C6H6BrNS
SMILES
C1CC2=C(C1)SC(=N2)Br
InChI
InChI=1S/C6H6BrNS/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2
InChIKey
DMQBHCRIFUDQMJ-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

202.94043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94771 131.9
[M+Na]+ 225.92965 133.8
[M+NH4]+ 220.97425 138.5
[M+K]+ 241.90359 134.9
[M-H]- 201.93315 132.3
[M+Na-2H]- 223.91510 133.5
[M]+ 202.93988 131.4
[M]- 202.94098 131.4
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