CID 25013449

N-methyl-n-(trifluoromethylthio)aniline

Structural Information

Molecular Formula
C8H8F3NS
SMILES
CN(C1=CC=CC=C1)SC(F)(F)F
InChI
InChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
TYFGNILTFVMYGX-UHFFFAOYSA-N
Compound name
N-methyl-N-(trifluoromethylsulfanyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

207.03296 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04024 143.3
[M+Na]+ 230.02218 151.9
[M+NH4]+ 225.06678 150.3
[M+K]+ 245.99612 144.8
[M-H]- 206.02568 141.9
[M+Na-2H]- 228.00763 148.4
[M]+ 207.03241 144.4
[M]- 207.03351 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe