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]+ 274.90398 137.5
[M+Na]+ 296.88592 153.7
[M-H]- 272.88942 145.7
[M+NH4]+ 291.93052 159.0
[M+K]+ 312.85986 140.6
[M+H-H2O]+ 256.89396 138.3
[M+HCOO]- 318.89490 150.9
[M+CH3COO]- 332.91055 153.9
[M+Na-2H]- 294.87137 143.1
[M]+ 273.89615 160.0
[M]- 273.89725 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.