CID 457323

N-(4-chlorophenyl)naphthalene-2-carboxamide

Structural Information

Molecular Formula
C17H12ClNO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClNO/c18-15-7-9-16(10-8-15)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H,(H,19,20)
InChIKey
OUWDQWTVLSCSKS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06073 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06801 161.7
[M+Na]+ 304.04995 170.4
[M-H]- 280.05345 169.2
[M+NH4]+ 299.09455 179.0
[M+K]+ 320.02389 163.7
[M+H-H2O]+ 264.05799 154.5
[M+HCOO]- 326.05893 180.8
[M+CH3COO]- 340.07458 173.9
[M+Na-2H]- 302.03540 168.6
[M]+ 281.06018 163.1
[M]- 281.06128 163.1
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.