CID 2777873

2061980-68-3

Structural Information

Molecular Formula
C8H8F3NS
SMILES
C1=CC(=CC(=C1)SC(F)(F)F)CN
InChI
InChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChIKey
YPPYNSNXKGEPFF-UHFFFAOYSA-N
Compound name
[3-(trifluoromethylsulfanyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

207.03296 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04024 143.1
[M+Na]+ 230.02218 151.5
[M+NH4]+ 225.06678 149.7
[M+K]+ 245.99612 144.4
[M-H]- 206.02568 141.3
[M+Na-2H]- 228.00763 147.3
[M]+ 207.03241 144.0
[M]- 207.03351 144.0
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

patents stripe