CID 24212846

853333-30-9

Structural Information

Molecular Formula
C21H17ClF3NO2
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C21H17ClF3NO2/c1-13-12-14(22)6-9-18(13)26-20(27)11-8-15-7-10-19(28-15)16-4-2-3-5-17(16)21(23,24)25/h2-7,9-10,12H,8,11H2,1H3,(H,26,27)
InChIKey
YRRAHUBNRRWSEX-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.09 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09728 194.8
[M+Na]+ 430.07922 204.0
[M-H]- 406.08272 201.8
[M+NH4]+ 425.12382 206.8
[M+K]+ 446.05316 197.4
[M+H-H2O]+ 390.08726 184.6
[M+HCOO]- 452.08820 209.2
[M+CH3COO]- 466.10385 223.1
[M+Na-2H]- 428.06467 194.5
[M]+ 407.08945 196.2
[M]- 407.09055 196.2
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.