CID 3038368

M-trifluoromethylthioacetanilide

Structural Information

Molecular Formula
C9H8F3NS
SMILES
CC(=S)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C9H8F3NS/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
GPRNWYQPMXUEGO-UHFFFAOYSA-N
Compound name
N-[3-(trifluoromethyl)phenyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

219.03296 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04024 147.7
[M+Na]+ 242.02218 155.9
[M+NH4]+ 237.06678 154.0
[M+K]+ 257.99612 149.0
[M-H]- 218.02568 145.6
[M+Na-2H]- 240.00763 151.6
[M]+ 219.03241 148.4
[M]- 219.03351 148.4
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