CID 3043801

C 2135

Structural Information

Molecular Formula
C13H8F3N3O2S
SMILES
C1=CC(=CC(=C1)N2C=NS(=O)(=O)C3=C2C=CN=C3)C(F)(F)F
InChI
InChI=1S/C13H8F3N3O2S/c14-13(15,16)9-2-1-3-10(6-9)19-8-18-22(20,21)12-7-17-5-4-11(12)19/h1-8H
InChIKey
AYVFALCVTHSZIT-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.02893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.03621 167.3
[M+Na]+ 350.01815 178.9
[M+NH4]+ 345.06275 173.4
[M+K]+ 365.99209 170.0
[M-H]- 326.02165 165.2
[M+Na-2H]- 348.00360 174.3
[M]+ 327.02838 168.8
[M]- 327.02948 168.8
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.