CID 3614865

477334-30-8

Structural Information

Molecular Formula
C14H12F3NOS
SMILES
C1=CSC(=C1)C(=O)CCNC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H12F3NOS/c15-14(16,17)10-3-5-11(6-4-10)18-8-7-12(19)13-2-1-9-20-13/h1-6,9,18H,7-8H2
InChIKey
GJNLYEHFXAAXPH-UHFFFAOYSA-N
Compound name
1-thiophen-2-yl-3-[4-(trifluoromethyl)anilino]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.05917 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06645 167.7
[M+Na]+ 322.04839 175.4
[M+NH4]+ 317.09299 173.5
[M+K]+ 338.02233 169.3
[M-H]- 298.05189 166.6
[M+Na-2H]- 320.03384 172.1
[M]+ 299.05862 168.6
[M]- 299.05972 168.6
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

No patent data available for this compound.