CID 43556074

3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C9H6F3N3S
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NSC(=N2)N
InChI
InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-2-5(4-6)7-14-8(13)16-15-7/h1-4H,(H2,13,14,15)
InChIKey
XZTKEOPQVLVNRX-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02345 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03073 149.5
[M+Na]+ 268.01267 158.5
[M+NH4]+ 263.05727 155.3
[M+K]+ 283.98661 153.6
[M-H]- 244.01617 147.9
[M+Na-2H]- 265.99812 154.6
[M]+ 245.02290 150.5
[M]- 245.02400 150.5
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.