CID 2221619

3-chloro-4-methoxy-n-phenylbenzamide

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)Cl
InChI
InChI=1S/C14H12ClNO2/c1-18-13-8-7-10(9-12(13)15)14(17)16-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKey
HOIKIUBSUHYLAN-UHFFFAOYSA-N
Compound name
3-chloro-4-methoxy-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.05566 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe