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 155.4
[M+Na]+ 294.02832 167.8
[M-H]- 270.03182 153.8
[M+NH4]+ 289.07292 172.9
[M+K]+ 310.00226 162.3
[M+H-H2O]+ 254.03636 146.2
[M+HCOO]- 316.03730 164.8
[M+CH3COO]- 330.05295 166.7
[M+Na-2H]- 292.01377 158.7
[M]+ 271.03855 154.6
[M]- 271.03965 154.6
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.