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]+ 273.042526 157.9
[M+Na]+ 295.024468 168.7
[M-H]- 271.027974 165.6
[M+NH4]+ 290.069073 174.9
[M+K]+ 310.998408 164.1
[M+H-H2O]+ 255.032510 150.6
[M+HCOO]- 317.033451 178.0
[M+CH3COO]- 331.049101 171.3
[M+Na-2H]- 293.009916 165.2
[M]+ 272.03470142 162.9
[M]- 272.03579858 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.