CID 24212622

853314-72-4

Structural Information

Molecular Formula
C18H13Cl2NO2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H13Cl2NO2/c1-11-13(19)7-4-8-15(11)21-18(22)17-10-9-16(23-17)12-5-2-3-6-14(12)20/h2-10H,1H3,(H,21,22)
InChIKey
VYABCRNHUWJXID-UHFFFAOYSA-N
Compound name
N-(3-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]+ 346.03963 178.7
[M+Na]+ 368.02157 195.4
[M+NH4]+ 363.06617 187.7
[M+K]+ 383.99551 187.9
[M-H]- 344.02507 186.6
[M+Na-2H]- 366.00702 188.2
[M]+ 345.03180 184.2
[M]- 345.03290 184.2
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.