CID 12679020

5-(1-bromoethyl)-4-methyl-1,2,3-thiadiazole

Structural Information

Molecular Formula
C5H7BrN2S
SMILES
CC1=C(SN=N1)C(C)Br
InChI
InChI=1S/C5H7BrN2S/c1-3(6)5-4(2)7-8-9-5/h3H,1-2H3
InChIKey
VZGGITJMDGUMAX-UHFFFAOYSA-N
Compound name
5-(1-bromoethyl)-4-methylthiadiazole
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 126.2
[M+Na]+ 228.94054 140.5
[M-H]- 204.94404 131.3
[M+NH4]+ 223.98514 149.3
[M+K]+ 244.91448 130.2
[M+H-H2O]+ 188.94858 126.7
[M+HCOO]- 250.94952 142.4
[M+CH3COO]- 264.96517 181.4
[M+Na-2H]- 226.92599 130.9
[M]+ 205.95077 147.2
[M]- 205.95187 147.2
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.