CID 24212533

853311-75-8

Structural Information

Molecular Formula
C19H14Cl3NO2
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H14Cl3NO2/c20-13-6-4-12(5-7-13)17-10-8-14(25-17)9-11-18(24)23-19-15(21)2-1-3-16(19)22/h1-8,10H,9,11H2,(H,23,24)
InChIKey
FWPGNKNYOSCFPM-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,6-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.009 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.01628 192.0
[M+Na]+ 415.99822 201.6
[M-H]- 392.00172 200.6
[M+NH4]+ 411.04282 205.1
[M+K]+ 431.97216 194.5
[M+H-H2O]+ 376.00626 185.3
[M+HCOO]- 438.00720 201.0
[M+CH3COO]- 452.02285 202.1
[M+Na-2H]- 413.98367 191.4
[M]+ 393.00845 198.1
[M]- 393.00955 198.1
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.