CID 20113039

N-(5-amino-2-methoxyphenyl)-4-chloro-2-fluorobenzamide

Structural Information

Molecular Formula
C14H12ClFN2O2
SMILES
COC1=C(C=C(C=C1)N)NC(=O)C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C14H12ClFN2O2/c1-20-13-5-3-9(17)7-12(13)18-14(19)10-4-2-8(15)6-11(10)16/h2-7H,17H2,1H3,(H,18,19)
InChIKey
PQGWPHXFGNIVBJ-UHFFFAOYSA-N
Compound name
N-(5-amino-2-methoxyphenyl)-4-chloro-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.05713 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.064406 163.6
[M+Na]+ 317.046348 173.1
[M-H]- 293.049854 169.3
[M+NH4]+ 312.090953 179.5
[M+K]+ 333.020288 167.7
[M+H-H2O]+ 277.054390 156.1
[M+HCOO]- 339.055331 183.5
[M+CH3COO]- 353.070981 206.0
[M+Na-2H]- 315.031796 166.2
[M]+ 294.05658142 164.7
[M]- 294.05767858 164.7
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.