CID 3734192

868256-07-9

Structural Information

Molecular Formula
C10H8F3N5OS
SMILES
CN1C(=NN=N1)SCC(=O)NC2=CC(=C(C=C2F)F)F
InChI
InChI=1S/C10H8F3N5OS/c1-18-10(15-16-17-18)20-4-9(19)14-8-3-6(12)5(11)2-7(8)13/h2-3H,4H2,1H3,(H,14,19)
InChIKey
OZZKFHRMIHZOAY-UHFFFAOYSA-N
Compound name
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.04016 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04744 162.7
[M+Na]+ 326.02938 171.4
[M+NH4]+ 321.07398 166.2
[M+K]+ 342.00332 167.1
[M-H]- 302.03288 159.5
[M+Na-2H]- 324.01483 165.9
[M]+ 303.03961 162.9
[M]- 303.04071 162.9
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.