CID 3062855

4h-s-triazolo(3,4-c)(1,4)benzothiazine, 1-methyl-8-(trifluoromethyl)-

Structural Information

Molecular Formula
C11H8F3N3S
SMILES
CC1=NN=C2N1C3=C(C=CC(=C3)C(F)(F)F)SC2
InChI
InChI=1S/C11H8F3N3S/c1-6-15-16-10-5-18-9-3-2-7(11(12,13)14)4-8(9)17(6)10/h2-4H,5H2,1H3
InChIKey
FLZFMRAGCHNHLJ-UHFFFAOYSA-N
Compound name
1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0391 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04638 156.2
[M+Na]+ 294.02832 166.3
[M+NH4]+ 289.07292 162.7
[M+K]+ 310.00226 160.4
[M-H]- 270.03182 153.2
[M+Na-2H]- 292.01377 159.0
[M]+ 271.03855 157.0
[M]- 271.03965 157.0
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.