CID 46318472

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

Structural Information

Molecular Formula
C8H4BrClN2S
SMILES
C1=CC=C(C(=C1)C2=NSC(=N2)Cl)Br
InChI
InChI=1S/C8H4BrClN2S/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H
InChIKey
JPVIFOCRRYFOSX-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)-5-chloro-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.8967 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.903976 137.5
[M+Na]+ 296.885918 153.7
[M-H]- 272.889424 145.7
[M+NH4]+ 291.930523 159.0
[M+K]+ 312.859858 140.6
[M+H-H2O]+ 256.893960 138.3
[M+HCOO]- 318.894901 150.9
[M+CH3COO]- 332.910551 153.9
[M+Na-2H]- 294.871366 143.1
[M]+ 273.89615142 160.0
[M]- 273.89724858 160.0
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.