CID 24212867

853333-72-9

Structural Information

Molecular Formula
C18H12ClF2NO3
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC3=C(C=C(C=C3)F)F)Cl
InChI
InChI=1S/C18H12ClF2NO3/c1-24-16-5-2-10(8-12(16)19)15-6-7-17(25-15)18(23)22-14-4-3-11(20)9-13(14)21/h2-9H,1H3,(H,22,23)
InChIKey
CJNDFLMYKUIUPY-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-methoxyphenyl)-N-(2,4-difluorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.04736 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.05464 180.9
[M+Na]+ 386.03658 191.6
[M-H]- 362.04008 189.9
[M+NH4]+ 381.08118 194.8
[M+K]+ 402.01052 186.4
[M+H-H2O]+ 346.04462 171.8
[M+HCOO]- 408.04556 199.2
[M+CH3COO]- 422.06121 215.2
[M+Na-2H]- 384.02203 181.2
[M]+ 363.04681 184.8
[M]- 363.04791 184.8
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.