CID 487730

N-(3,4-dichlorophenyl)-5-fluoro-2-hydroxybenzamide

Structural Information

Molecular Formula
C13H8Cl2FNO2
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)F)O)Cl)Cl
InChI
InChI=1S/C13H8Cl2FNO2/c14-10-3-2-8(6-11(10)15)17-13(19)9-5-7(16)1-4-12(9)18/h1-6,18H,(H,17,19)
InChIKey
SLPPGNPYKYJOHD-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-5-fluoro-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

298.9916 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.99888 158.9
[M+Na]+ 321.98082 169.6
[M-H]- 297.98432 163.2
[M+NH4]+ 317.02542 175.0
[M+K]+ 337.95476 162.6
[M+H-H2O]+ 281.98886 153.0
[M+HCOO]- 343.98980 172.2
[M+CH3COO]- 358.00545 200.4
[M+Na-2H]- 319.96627 161.6
[M]+ 298.99105 160.8
[M]- 298.99215 160.8
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.