CID 28738951

4-chloro-n-(4-hydroxyphenyl)-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05566 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 155.8
[M+Na]+ 284.04488 163.9
[M-H]- 260.04838 162.8
[M+NH4]+ 279.08948 173.0
[M+K]+ 300.01882 159.7
[M+H-H2O]+ 244.05292 149.3
[M+HCOO]- 306.05386 175.3
[M+CH3COO]- 320.06951 197.2
[M+Na-2H]- 282.03033 159.9
[M]+ 261.05511 158.1
[M]- 261.05621 158.1
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.