CID 46318481

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

Structural Information

Molecular Formula
C3H2BrClN2S
SMILES
C(C1=NSC(=N1)Cl)Br
InChI
InChI=1S/C3H2BrClN2S/c4-1-2-6-3(5)8-7-2/h1H2
InChIKey
HIDPMAWBGGZCRB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-5-chloro-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.88106 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.88834 121.6
[M+Na]+ 234.87028 137.7
[M-H]- 210.87378 126.7
[M+NH4]+ 229.91488 145.3
[M+K]+ 250.84422 125.8
[M+H-H2O]+ 194.87832 122.9
[M+HCOO]- 256.87926 134.9
[M+CH3COO]- 270.89491 138.6
[M+Na-2H]- 232.85573 127.9
[M]+ 211.88051 143.8
[M]- 211.88161 143.8
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