CID 3426664

622804-82-4

Structural Information

Molecular Formula
C19H14F3NO2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C19H14F3NO2/c1-12-6-8-13(9-7-12)23-18(24)17-11-10-16(25-17)14-4-2-3-5-15(14)19(20,21)22/h2-11H,1H3,(H,23,24)
InChIKey
MMFZJJLKIUUIHO-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.09766 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10494 177.7
[M+Na]+ 368.08688 186.0
[M-H]- 344.09038 184.9
[M+NH4]+ 363.13148 191.0
[M+K]+ 384.06082 181.7
[M+H-H2O]+ 328.09492 167.3
[M+HCOO]- 390.09586 197.4
[M+CH3COO]- 404.11151 212.5
[M+Na-2H]- 366.07233 179.7
[M]+ 345.09711 175.5
[M]- 345.09821 175.5
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.