CID 53388679

5-bromo-1,3,4-thiadiazole-2-carboxamide

Structural Information

Molecular Formula
C3H2BrN3OS
SMILES
C1(=NN=C(S1)Br)C(=O)N
InChI
InChI=1S/C3H2BrN3OS/c4-3-7-6-2(9-3)1(5)8/h(H2,5,8)
InChIKey
VSXVUEUQCVYVPM-UHFFFAOYSA-N
Compound name
5-bromo-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

206.9102 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.91748 123.3
[M+Na]+ 229.89942 137.3
[M-H]- 205.90292 127.8
[M+NH4]+ 224.94402 145.4
[M+K]+ 245.87336 126.4
[M+H-H2O]+ 189.90746 122.9
[M+HCOO]- 251.90840 140.6
[M+CH3COO]- 265.92405 180.5
[M+Na-2H]- 227.88487 128.4
[M]+ 206.90965 142.4
[M]- 206.91075 142.4
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