CID 66690730

2-bromo-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C5H3BrIN3S
SMILES
CC1=C(N2C(=N1)SC(=N2)Br)I
InChI
InChI=1S/C5H3BrIN3S/c1-2-3(7)10-5(8-2)11-4(6)9-10/h1H3
InChIKey
MNCYTVRKMQWBRR-UHFFFAOYSA-N
Compound name
2-bromo-5-iodo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.82758 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.83486 131.2
[M+Na]+ 365.81680 142.8
[M-H]- 341.82030 130.8
[M+NH4]+ 360.86140 150.7
[M+K]+ 381.79074 138.0
[M+H-H2O]+ 325.82484 129.1
[M+HCOO]- 387.82578 145.2
[M+CH3COO]- 401.84143 144.9
[M+Na-2H]- 363.80225 126.3
[M]+ 342.82703 151.8
[M]- 342.82813 151.8
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