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]+ 295.06441 163.6
[M+Na]+ 317.04635 173.1
[M-H]- 293.04985 169.3
[M+NH4]+ 312.09095 179.5
[M+K]+ 333.02029 167.7
[M+H-H2O]+ 277.05439 156.1
[M+HCOO]- 339.05533 183.5
[M+CH3COO]- 353.07098 206.0
[M+Na-2H]- 315.03180 166.2
[M]+ 294.05658 164.7
[M]- 294.05768 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.