CID 39869333

2-chloro-n-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide

Structural Information

Molecular Formula
C15H13Cl2NO2
SMILES
CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CCl
InChI
InChI=1S/C15H13Cl2NO2/c1-10-2-5-12(6-3-10)20-14-7-4-11(17)8-13(14)18-15(19)9-16/h2-8H,9H2,1H3,(H,18,19)
InChIKey
KTSMGEJJLIUPSS-UHFFFAOYSA-N
Compound name
2-chloro-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03235 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03963 166.4
[M+Na]+ 332.02157 175.7
[M-H]- 308.02507 172.7
[M+NH4]+ 327.06617 182.5
[M+K]+ 347.99551 169.5
[M+H-H2O]+ 292.02961 160.4
[M+HCOO]- 354.03055 181.5
[M+CH3COO]- 368.04620 204.8
[M+Na-2H]- 330.00702 169.6
[M]+ 309.03180 171.4
[M]- 309.03290 171.4
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.