CID 43556119

1153981-93-1

Structural Information

Molecular Formula

C₉H₆F₃N₃S

SMILES

C1=CC(=CC=C1C2=NSC(=N2)N)C(F)(F)F

InChI

InChI=1S/C9H6F3N3S/c10-9(11,12)6-3-1-5(2-4-6)7-14-8(13)16-15-7/h1-4H,(H2,13,14,15)

InChIKey

WHZCFYQQFJYQDI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 245.02345 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe