CID 4860829

620541-20-0

Structural Information

Molecular Formula
C19H13ClF3NO2
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F)Cl
InChI
InChI=1S/C19H13ClF3NO2/c1-11-6-7-12(10-15(11)20)24-18(25)17-9-8-16(26-17)13-4-2-3-5-14(13)19(21,22)23/h2-10H,1H3,(H,24,25)
InChIKey
UWLOXGXSPWMGGP-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0587 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06598 185.3
[M+Na]+ 402.04792 195.4
[M-H]- 378.05142 192.7
[M+NH4]+ 397.09252 198.4
[M+K]+ 418.02186 189.3
[M+H-H2O]+ 362.05596 175.6
[M+HCOO]- 424.05690 200.4
[M+CH3COO]- 438.07255 217.2
[M+Na-2H]- 400.03337 186.1
[M]+ 379.05815 186.1
[M]- 379.05925 186.1
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.