CID 17603828

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

Structural Information

Molecular Formula
C8H5Cl2N3S
SMILES
C1=C(C=C(C=C1Cl)Cl)C2=NN=C(S2)N
InChI
InChI=1S/C8H5Cl2N3S/c9-5-1-4(2-6(10)3-5)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
GIBHWYSZYWWWRJ-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 148.8
[M+Na]+ 267.94735 163.7
[M+NH4]+ 262.99195 158.2
[M+K]+ 283.92129 155.5
[M-H]- 243.95085 152.6
[M+Na-2H]- 265.93280 156.5
[M]+ 244.95758 153.0
[M]- 244.95868 153.0
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

patents stripe