CID 7064118

6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzothiazine

Structural Information

Molecular Formula
C9H8F3NS
SMILES
C1CSC2=C(N1)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C9H8F3NS/c10-9(11,12)6-1-2-8-7(5-6)13-3-4-14-8/h1-2,5,13H,3-4H2
InChIKey
MEJJCPDHJCPHMO-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.03296 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04024 144.0
[M+Na]+ 242.02218 153.1
[M+NH4]+ 237.06678 151.2
[M+K]+ 257.99612 145.7
[M-H]- 218.02568 141.6
[M+Na-2H]- 240.00763 147.7
[M]+ 219.03241 144.9
[M]- 219.03351 144.9
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.