CID 4199817

N-(2,6-dichlorophenyl)-4-methylbenzamide

Structural Information

Molecular Formula
C14H11Cl2NO
SMILES
CC1=CC=C(C=C1)C(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H11Cl2NO/c1-9-5-7-10(8-6-9)14(18)17-13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18)
InChIKey
YJFFKKKYUIVQOM-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.02176 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.02904 159.8
[M+Na]+ 302.01098 176.2
[M+NH4]+ 297.05558 169.3
[M+K]+ 317.98492 167.0
[M-H]- 278.01448 165.2
[M+Na-2H]- 299.99643 169.5
[M]+ 279.02121 164.5
[M]- 279.02231 164.5
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.