CID 112553263

2-(bromomethyl)-5-ethyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C5H7BrN2S
SMILES
CCC1=NN=C(S1)CBr
InChI
InChI=1S/C5H7BrN2S/c1-2-4-7-8-5(3-6)9-4/h2-3H2,1H3
InChIKey
BOTYPOMFJQDQLF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-ethyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.95132 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.95860 125.4
[M+Na]+ 228.94054 140.0
[M-H]- 204.94404 130.4
[M+NH4]+ 223.98514 148.7
[M+K]+ 244.91448 129.4
[M+H-H2O]+ 188.94858 125.9
[M+HCOO]- 250.94952 142.7
[M+CH3COO]- 264.96517 180.6
[M+Na-2H]- 226.92599 131.2
[M]+ 205.95077 147.1
[M]- 205.95187 147.1
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.