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]+ 310.064076 165.6
[M+Na]+ 332.046018 175.4
[M-H]- 308.049524 171.7
[M+NH4]+ 327.090623 181.4
[M+K]+ 348.019958 170.7
[M+H-H2O]+ 292.054060 157.9
[M+HCOO]- 354.055001 185.0
[M+CH3COO]- 368.070651 206.5
[M+Na-2H]- 330.031466 168.4
[M]+ 309.05625142 170.1
[M]- 309.05734858 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.