CID 297485

M-toluidine, 6-chloro-alpha,alpha,alpha-trifluoro-n-(5,6-dihydro-4h-1,3-thiazin-2-yl)-

Structural Information

Molecular Formula
C11H10ClF3N2S
SMILES
C1CN=C(SC1)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C11H10ClF3N2S/c12-8-3-2-7(11(13,14)15)6-9(8)17-10-16-4-1-5-18-10/h2-3,6H,1,4-5H2,(H,16,17)
InChIKey
FRTWVYOZMPESPI-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.02054 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02782 156.7
[M+Na]+ 317.00976 165.2
[M-H]- 293.01326 158.0
[M+NH4]+ 312.05436 172.0
[M+K]+ 332.98370 158.6
[M+H-H2O]+ 277.01780 147.4
[M+HCOO]- 339.01874 164.5
[M+CH3COO]- 353.03439 198.0
[M+Na-2H]- 314.99521 159.0
[M]+ 294.01999 152.9
[M]- 294.02109 152.9
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.