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 159.9
[M+Na]+ 326.02938 171.7
[M-H]- 302.03288 159.1
[M+NH4]+ 321.07398 172.3
[M+K]+ 342.00332 166.1
[M+H-H2O]+ 286.03742 148.7
[M+HCOO]- 348.03836 173.4
[M+CH3COO]- 362.05401 203.6
[M+Na-2H]- 324.01483 159.2
[M]+ 303.03961 160.6
[M]- 303.04071 160.6
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.