CID 43667923

2-bromoimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C4H2BrN3S
SMILES
C1=CN2C(=N1)SC(=N2)Br
InChI
InChI=1S/C4H2BrN3S/c5-3-7-8-2-1-6-4(8)9-3/h1-2H
InChIKey
JFHCFWOCRFEOAG-UHFFFAOYSA-N
Compound name
2-bromoimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

202.91528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.92256 122.2
[M+Na]+ 225.90450 139.9
[M-H]- 201.90800 128.0
[M+NH4]+ 220.94910 147.3
[M+K]+ 241.87844 130.1
[M+H-H2O]+ 185.91254 123.4
[M+HCOO]- 247.91348 141.1
[M+CH3COO]- 261.92913 140.1
[M+Na-2H]- 223.88995 129.6
[M]+ 202.91473 145.4
[M]- 202.91583 145.4
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