CID 836294

N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C15H13ClFNO3
SMILES
COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)Cl)OC
InChI
InChI=1S/C15H13ClFNO3/c1-20-13-8-14(21-2)12(7-10(13)16)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)
InChIKey
NAXFPDGMQYPBDX-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

309.0568 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06408 165.6
[M+Na]+ 332.04602 175.4
[M-H]- 308.04952 171.7
[M+NH4]+ 327.09062 181.4
[M+K]+ 348.01996 170.7
[M+H-H2O]+ 292.05406 157.9
[M+HCOO]- 354.05500 185.0
[M+CH3COO]- 368.07065 206.5
[M+Na-2H]- 330.03147 168.4
[M]+ 309.05625 170.1
[M]- 309.05735 170.1
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.