CID 3816615

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

Structural Information

Molecular Formula
C8H5BrClN3S
SMILES
C1=CC(=C(C=C1Br)C2=NN=C(S2)N)Cl
InChI
InChI=1S/C8H5BrClN3S/c9-4-1-2-6(10)5(3-4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
LZBGWPLTTUELAD-UHFFFAOYSA-N
Compound name
5-(5-bromo-2-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 141.9
[M+Na]+ 311.89684 157.8
[M-H]- 287.90034 149.7
[M+NH4]+ 306.94144 162.3
[M+K]+ 327.87078 143.6
[M+H-H2O]+ 271.90488 142.0
[M+HCOO]- 333.90582 155.5
[M+CH3COO]- 347.92147 157.6
[M+Na-2H]- 309.88229 146.4
[M]+ 288.90707 163.0
[M]- 288.90817 163.0
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.