CID 76764706

Lithium(1+) 5-bromo-1,2,4-thiadiazole-3-carboxylate

Structural Information

Molecular Formula
C3HBrN2O2S
SMILES
C1(=NSC(=N1)Br)C(=O)O
InChI
InChI=1S/C3HBrN2O2S/c4-3-5-1(2(7)8)6-9-3/h(H,7,8)
InChIKey
NCTGVMCKWUSPHG-UHFFFAOYSA-N
Compound name
5-bromo-1,2,4-thiadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.89421 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.90149 122.8
[M+Na]+ 230.88343 137.2
[M-H]- 206.88693 126.7
[M+NH4]+ 225.92803 144.8
[M+K]+ 246.85737 126.7
[M+H-H2O]+ 190.89147 123.5
[M+HCOO]- 252.89241 138.8
[M+CH3COO]- 266.90806 176.1
[M+Na-2H]- 228.86888 128.1
[M]+ 207.89366 143.3
[M]- 207.89476 143.3
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.