CID 3043872

Jdl 142

Structural Information

Molecular Formula
C14H10F3N3O2S
SMILES
CC1=NS(=O)(=O)C2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CN=C2
InChI
InChI=1S/C14H10F3N3O2S/c1-9-19-23(21,22)13-8-18-6-5-12(13)20(9)11-4-2-3-10(7-11)14(15,16)17/h2-8H,1H3
InChIKey
XMXIODVPEXHTOX-UHFFFAOYSA-N
Compound name
3-methyl-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

341.0446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05188 172.9
[M+Na]+ 364.03382 185.6
[M-H]- 340.03732 173.5
[M+NH4]+ 359.07842 186.1
[M+K]+ 380.00776 179.1
[M+H-H2O]+ 324.04186 161.7
[M+HCOO]- 386.04280 182.6
[M+CH3COO]- 400.05845 183.1
[M+Na-2H]- 362.01927 177.8
[M]+ 341.04405 172.7
[M]- 341.04515 172.7
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.