CID 63906098

2-bromo-6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C7H6BrN3S
SMILES
C1CC1C2=CN3C(=N2)SC(=N3)Br
InChI
InChI=1S/C7H6BrN3S/c8-6-10-11-3-5(4-1-2-4)9-7(11)12-6/h3-4H,1-2H2
InChIKey
MVXKGSXJNVBDHB-UHFFFAOYSA-N
Compound name
2-bromo-6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.94658 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.95386 139.2
[M+Na]+ 265.93580 157.9
[M-H]- 241.93930 148.0
[M+NH4]+ 260.98040 158.1
[M+K]+ 281.90974 145.9
[M+H-H2O]+ 225.94384 139.7
[M+HCOO]- 287.94478 157.4
[M+CH3COO]- 301.96043 155.7
[M+Na-2H]- 263.92125 144.1
[M]+ 242.94603 163.3
[M]- 242.94713 163.3
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

No patent data available for this compound.