CID 743121

2-fluoro-n-(2,4,5-trichlorophenyl)benzamide

Structural Information

Molecular Formula
C13H7Cl3FNO
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)F
InChI
InChI=1S/C13H7Cl3FNO/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h1-6H,(H,18,19)
InChIKey
HOCANSVPTFECNA-UHFFFAOYSA-N
Compound name
2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

316.95773 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.96501 161.9
[M+Na]+ 339.94695 173.0
[M-H]- 315.95045 166.0
[M+NH4]+ 334.99155 177.9
[M+K]+ 355.92089 165.5
[M+H-H2O]+ 299.95499 156.4
[M+HCOO]- 361.95593 170.9
[M+CH3COO]- 375.97158 205.6
[M+Na-2H]- 337.93240 163.9
[M]+ 316.95718 164.5
[M]- 316.95828 164.5
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.