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 139.7
[M+Na]+ 242.02218 148.0
[M-H]- 218.02568 137.3
[M+NH4]+ 237.06678 157.8
[M+K]+ 257.99612 143.0
[M+H-H2O]+ 202.03022 131.5
[M+HCOO]- 264.03116 148.8
[M+CH3COO]- 278.04681 182.3
[M+Na-2H]- 240.00763 144.0
[M]+ 219.03241 133.2
[M]- 219.03351 133.2
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.