CID 9942463

2-bromo-4h,5h,6h-cyclopenta[d][1,3]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

32
Patents

202.94043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.947706 131.2
[M+Na]+ 225.929648 146.0
[M-H]- 201.933154 138.4
[M+NH4]+ 220.974253 158.4
[M+K]+ 241.903588 136.0
[M+H-H2O]+ 185.937690 133.1
[M+HCOO]- 247.938631 148.9
[M+CH3COO]- 261.954281 148.2
[M+Na-2H]- 223.915096 135.8
[M]+ 202.93988142 151.3
[M]- 202.94097858 151.3
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