CID 346660

2-chloro-n-(4-methoxyphenyl)benzamide

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H12ClNO2/c1-18-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15/h2-9H,1H3,(H,16,17)
InChIKey
YLJUWLZVUMHZRS-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

261.05566 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.0
[M+Na]+ 284.04488 164.5
[M-H]- 260.04838 163.0
[M+NH4]+ 279.08948 173.3
[M+K]+ 300.01882 159.7
[M+H-H2O]+ 244.05292 149.3
[M+HCOO]- 306.05386 176.6
[M+CH3COO]- 320.06951 196.3
[M+Na-2H]- 282.03033 161.3
[M]+ 261.05511 158.9
[M]- 261.05621 158.9
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

patents stripe