CID 16452244

N-(1,2-benzoxazol-3-yl)-3-chlorobenzamide

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC=C2C(=C1)C(=NO2)NC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H9ClN2O2/c15-10-5-3-4-9(8-10)14(18)16-13-11-6-1-2-7-12(11)19-17-13/h1-8H,(H,16,17,18)
InChIKey
XXVAUOCDKHLMAF-UHFFFAOYSA-N
Compound name
N-(1,2-benzoxazol-3-yl)-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.03525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 157.9
[M+Na]+ 295.02447 168.7
[M-H]- 271.02797 165.6
[M+NH4]+ 290.06907 174.9
[M+K]+ 310.99841 164.1
[M+H-H2O]+ 255.03251 150.6
[M+HCOO]- 317.03345 178.0
[M+CH3COO]- 331.04910 171.3
[M+Na-2H]- 293.00992 165.2
[M]+ 272.03470 162.9
[M]- 272.03580 162.9
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.