CID 46835778

3-bromo-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C2H2BrN3S
SMILES
C1(=NC(=NS1)Br)N
InChI
InChI=1S/C2H2BrN3S/c3-1-5-2(4)7-6-1/h(H2,4,5,6)
InChIKey
OIAWLUSVPFSBCK-UHFFFAOYSA-N
Compound name
3-bromo-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

178.91528 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.92256 116.1
[M+Na]+ 201.90450 130.8
[M-H]- 177.90800 120.8
[M+NH4]+ 196.94910 139.5
[M+K]+ 217.87844 119.9
[M+H-H2O]+ 161.91254 116.1
[M+HCOO]- 223.91348 134.4
[M+CH3COO]- 237.92913 175.9
[M+Na-2H]- 199.88995 122.8
[M]+ 178.91473 134.9
[M]- 178.91583 134.9
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