CID 839842

3-chloro-n-(2,4-difluorophenyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C14H10ClF2NO2
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)Cl
InChI
InChI=1S/C14H10ClF2NO2/c1-20-13-5-2-8(6-10(13)15)14(19)18-12-4-3-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKey
MLGYRDOKTHLIQP-UHFFFAOYSA-N
Compound name
3-chloro-N-(2,4-difluorophenyl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.0368 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04408 160.7
[M+Na]+ 320.02602 171.0
[M-H]- 296.02952 165.5
[M+NH4]+ 315.07062 177.0
[M+K]+ 335.99996 165.5
[M+H-H2O]+ 280.03406 152.4
[M+HCOO]- 342.03500 179.1
[M+CH3COO]- 356.05065 204.1
[M+Na-2H]- 318.01147 163.4
[M]+ 297.03625 162.3
[M]- 297.03735 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.