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

18
Patents

207.03296 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040236 137.2
[M+Na]+ 230.022178 145.0
[M-H]- 206.025684 138.4
[M+NH4]+ 225.066783 156.9
[M+K]+ 245.996118 142.8
[M+H-H2O]+ 190.030220 128.5
[M+HCOO]- 252.031161 153.4
[M+CH3COO]- 266.046811 188.5
[M+Na-2H]- 228.007626 141.1
[M]+ 207.03241142 135.3
[M]- 207.03350858 135.3
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