CID 75086928

853347-90-7

Structural Information

Molecular Formula
C20H14F3NOS
SMILES
C1=CC=C(C=C1)C2=CSC(=C2)C=CC(=O)NC3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C20H14F3NOS/c21-20(22,23)17-8-4-5-9-18(17)24-19(25)11-10-16-12-15(13-26-16)14-6-2-1-3-7-14/h1-13H,(H,24,25)
InChIKey
XADLDPLXQOJAMS-UHFFFAOYSA-N
Compound name
3-(4-phenylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07483 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08211 184.8
[M+Na]+ 396.06405 192.5
[M-H]- 372.06755 190.8
[M+NH4]+ 391.10865 198.7
[M+K]+ 412.03799 184.9
[M+H-H2O]+ 356.07209 174.3
[M+HCOO]- 418.07303 200.2
[M+CH3COO]- 432.08868 214.1
[M+Na-2H]- 394.04950 183.8
[M]+ 373.07428 182.3
[M]- 373.07538 182.3
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.