CID 45141884

1086381-69-2

Structural Information

Molecular Formula
C6H6BrNS
SMILES
C1CC1C2=NC(=CS2)Br
InChI
InChI=1S/C6H6BrNS/c7-5-3-9-6(8-5)4-1-2-4/h3-4H,1-2H2
InChIKey
UJFDCZNRQSUMIF-UHFFFAOYSA-N
Compound name
4-bromo-2-cyclopropyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

202.94043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.947706 126.1
[M+Na]+ 225.929648 141.8
[M-H]- 201.933154 135.8
[M+NH4]+ 220.974253 145.8
[M+K]+ 241.903588 130.5
[M+H-H2O]+ 185.937690 126.3
[M+HCOO]- 247.938631 144.8
[M+CH3COO]- 261.954281 142.8
[M+Na-2H]- 223.915096 131.8
[M]+ 202.93988142 147.6
[M]- 202.94097858 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