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]+ 208.901486 122.8
[M+Na]+ 230.883428 137.2
[M-H]- 206.886934 126.7
[M+NH4]+ 225.928033 144.8
[M+K]+ 246.857368 126.7
[M+H-H2O]+ 190.891470 123.5
[M+HCOO]- 252.892411 138.8
[M+CH3COO]- 266.908061 176.1
[M+Na-2H]- 228.868876 128.1
[M]+ 207.89366142 143.3
[M]- 207.89475858 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.