CID 28908396

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

Structural Information

Molecular Formula
C9H8ClN3S
SMILES
C1=CC(=CC=C1CC2=NSC(=N2)N)Cl
InChI
InChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKey
JWAYTUKSNQYFFX-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01274 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02002 145.3
[M+Na]+ 248.00196 159.2
[M+NH4]+ 243.04656 154.6
[M+K]+ 263.97590 151.5
[M-H]- 224.00546 149.3
[M+Na-2H]- 245.98741 153.3
[M]+ 225.01219 149.1
[M]- 225.01329 149.1
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.