CID 3771774

5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C8H5Cl2N3S
SMILES
C1=CC(=C(C(=C1)Cl)C2=NN=C(S2)N)Cl
InChI
InChI=1S/C8H5Cl2N3S/c9-4-2-1-3-5(10)6(4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
JWLOJTWDBWTXHD-UHFFFAOYSA-N
Compound name
5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.95813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.96541 147.1
[M+Na]+ 267.94735 159.5
[M-H]- 243.95085 151.4
[M+NH4]+ 262.99195 165.5
[M+K]+ 283.92129 153.0
[M+H-H2O]+ 227.95539 141.1
[M+HCOO]- 289.95633 157.0
[M+CH3COO]- 303.97198 160.1
[M+Na-2H]- 265.93280 148.3
[M]+ 244.95758 150.3
[M]- 244.95868 150.3
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

patents stripe