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

37
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 131.2
[M+Na]+ 225.92965 146.0
[M-H]- 201.93315 138.4
[M+NH4]+ 220.97425 158.4
[M+K]+ 241.90359 136.0
[M+H-H2O]+ 185.93769 133.1
[M+HCOO]- 247.93863 148.9
[M+CH3COO]- 261.95428 148.2
[M+Na-2H]- 223.91510 135.8
[M]+ 202.93988 151.3
[M]- 202.94098 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