CID 644639

L 1458

Structural Information

Molecular Formula
C6H5N3S2
SMILES
C1=CSC(=C1)C2=NN=C(S2)N
InChI
InChI=1S/C6H5N3S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKey
DADKTCVAPDOGJQ-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

15
Patents

182.9925 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99978 131.6
[M+Na]+ 205.98172 144.7
[M-H]- 181.98522 137.4
[M+NH4]+ 201.02632 153.5
[M+K]+ 221.95566 140.7
[M+H-H2O]+ 165.98976 125.9
[M+HCOO]- 227.99070 149.2
[M+CH3COO]- 242.00635 146.5
[M+Na-2H]- 203.96717 132.7
[M]+ 182.99195 134.5
[M]- 182.99305 134.5
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