CID 45142087

1095010-50-6

Structural Information

Molecular Formula
C6H6BrNS
SMILES
C1CC1C2=CSC(=N2)Br
InChI
InChI=1S/C6H6BrNS/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2
InChIKey
KSFCLCADEPTWLI-UHFFFAOYSA-N
Compound name
2-bromo-4-cyclopropyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

202.94043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94771 126.1
[M+Na]+ 225.92965 141.8
[M-H]- 201.93315 135.8
[M+NH4]+ 220.97425 145.8
[M+K]+ 241.90359 130.5
[M+H-H2O]+ 185.93769 126.3
[M+HCOO]- 247.93863 144.8
[M+CH3COO]- 261.95428 142.8
[M+Na-2H]- 223.91510 131.8
[M]+ 202.93988 147.6
[M]- 202.94098 147.6
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