CID 2772306

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

Structural Information

Molecular Formula
C8H6ClN3S
SMILES
C1=CC(=CC(=C1)Cl)C2=NN=C(S2)N
InChI
InChI=1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
JVPYRGXPTAPRJU-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

210.9971 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00438 140.3
[M+Na]+ 233.98632 151.9
[M-H]- 209.98982 145.1
[M+NH4]+ 229.03092 159.5
[M+K]+ 249.96026 146.4
[M+H-H2O]+ 193.99436 133.7
[M+HCOO]- 255.99530 155.5
[M+CH3COO]- 270.01095 153.9
[M+Na-2H]- 231.97177 143.1
[M]+ 210.99655 142.3
[M]- 210.99765 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe