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 140.6
[M+Na]+ 242.02218 148.8
[M-H]- 218.02568 140.6
[M+NH4]+ 237.06678 159.4
[M+K]+ 257.99612 144.7
[M+H-H2O]+ 202.03022 132.3
[M+HCOO]- 264.03116 155.2
[M+CH3COO]- 278.04681 188.3
[M+Na-2H]- 240.00763 142.9
[M]+ 219.03241 136.8
[M]- 219.03351 136.8
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