CID 103863142

5-(2-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C8H5BrClN3S
SMILES
C1=CC(=C(C=C1Cl)Br)C2=NN=C(S2)N
InChI
InChI=1S/C8H5BrClN3S/c9-6-3-4(10)1-2-5(6)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
PSIQTLHOBBKMLS-UHFFFAOYSA-N
Compound name
5-(2-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.90762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91490 146.0
[M+Na]+ 311.89684 150.8
[M+NH4]+ 306.94144 151.6
[M+K]+ 327.87078 149.9
[M-H]- 287.90034 148.2
[M+Na-2H]- 309.88229 150.7
[M]+ 288.90707 146.8
[M]- 288.90817 146.8
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

No patent data available for this compound.