CID 24212803

853331-38-1

Structural Information

Molecular Formula
C18H13Cl2NO2
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H13Cl2NO2/c1-11-10-12(19)6-7-15(11)21-18(22)17-9-8-16(23-17)13-4-2-3-5-14(13)20/h2-10H,1H3,(H,21,22)
InChIKey
RFOZNWQYHNUUAE-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.03235 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.039626 180.6
[M+Na]+ 368.021568 190.7
[M-H]- 344.025074 191.0
[M+NH4]+ 363.066173 195.5
[M+K]+ 383.995508 184.5
[M+H-H2O]+ 328.029610 173.8
[M+HCOO]- 390.030551 195.5
[M+CH3COO]- 404.046201 192.5
[M+Na-2H]- 366.007016 181.7
[M]+ 345.03180142 186.0
[M]- 345.03289858 186.0
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.