CID 21403426

1052694-85-5

Structural Information

Molecular Formula
C10H8F3N3S
SMILES
C1=CC(=CC=C1CC2=NN=C(S2)N)C(F)(F)F
InChI
InChI=1S/C10H8F3N3S/c11-10(12,13)7-3-1-6(2-4-7)5-8-15-16-9(14)17-8/h1-4H,5H2,(H2,14,16)
InChIKey
DNKNUHGUGHSKKO-UHFFFAOYSA-N
Compound name
5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.0391 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04638 153.6
[M+Na]+ 282.02832 162.4
[M+NH4]+ 277.07292 159.3
[M+K]+ 298.00226 157.2
[M-H]- 258.03182 152.0
[M+Na-2H]- 280.01377 158.5
[M]+ 259.03855 154.5
[M]- 259.03965 154.5
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

patents stripe