CID 36851

N-(5-chloro-2-pyridinyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C12H8ClFN2O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC=C(C=C2)Cl)F
InChI
InChI=1S/C12H8ClFN2O/c13-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,15,16,17)
InChIKey
REOUSSGUTFKMAI-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-2-yl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

250.03091 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03819 150.3
[M+Na]+ 273.02013 159.7
[M-H]- 249.02363 154.6
[M+NH4]+ 268.06473 166.6
[M+K]+ 288.99407 154.1
[M+H-H2O]+ 233.02817 142.0
[M+HCOO]- 295.02911 168.8
[M+CH3COO]- 309.04476 193.6
[M+Na-2H]- 271.00558 156.2
[M]+ 250.03036 150.4
[M]- 250.03146 150.4
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.