CID 148076564

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

Structural Information

Molecular Formula
C3H3BrN2S
SMILES
C1=NSC(=N1)CBr
InChI
InChI=1S/C3H3BrN2S/c4-1-3-5-2-6-7-3/h2H,1H2
InChIKey
JLCUQDXTYGJVAX-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.92003 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.927306 116.9
[M+Na]+ 200.909248 131.5
[M-H]- 176.912754 121.8
[M+NH4]+ 195.953853 140.9
[M+K]+ 216.883188 121.5
[M+H-H2O]+ 160.917290 117.5
[M+HCOO]- 222.918231 134.8
[M+CH3COO]- 236.933881 174.0
[M+Na-2H]- 198.894696 124.2
[M]+ 177.91948142 137.5
[M]- 177.92057858 137.5
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