CID 4493817

618400-57-0

Structural Information

Molecular Formula
C18H11ClF3NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C18H11ClF3NO2/c19-14-7-2-1-6-13(14)15-8-9-16(25-15)17(24)23-12-5-3-4-11(10-12)18(20,21)22/h1-10H,(H,23,24)
InChIKey
SUUAJCNPOPXZAR-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.04303 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05031 180.4
[M+Na]+ 388.03225 190.0
[M-H]- 364.03575 187.6
[M+NH4]+ 383.07685 193.8
[M+K]+ 404.00619 184.1
[M+H-H2O]+ 348.04029 170.6
[M+HCOO]- 410.04123 195.9
[M+CH3COO]- 424.05688 213.1
[M+Na-2H]- 386.01770 182.4
[M]+ 365.04248 180.4
[M]- 365.04358 180.4
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.