CID 11194968

5-bromo-2-chlorothiazole

Structural Information

Molecular Formula
C3HBrClNS
SMILES
C1=C(SC(=N1)Cl)Br
InChI
InChI=1S/C3HBrClNS/c4-2-1-6-3(5)7-2/h1H
InChIKey
DKJFZOGJTDCZQU-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

196.87016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.87744 119.7
[M+Na]+ 219.85938 135.9
[M-H]- 195.86288 126.3
[M+NH4]+ 214.90398 145.2
[M+K]+ 235.83332 123.9
[M+H-H2O]+ 179.86742 121.8
[M+HCOO]- 241.86836 134.2
[M+CH3COO]- 255.88401 137.4
[M+Na-2H]- 217.84483 126.1
[M]+ 196.86961 141.5
[M]- 196.87071 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe