CID 235647

4',4''-methylenebis(2-chloroacetanilide)

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)CCl)NC(=O)CCl
InChI
InChI=1S/C17H16Cl2N2O2/c18-10-16(22)20-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)21-17(23)11-19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKey
SVQWRVUVTZFTFO-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

350.05887 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.066146 179.5
[M+Na]+ 373.048088 186.1
[M-H]- 349.051594 185.1
[M+NH4]+ 368.092693 193.1
[M+K]+ 389.022028 179.4
[M+H-H2O]+ 333.056130 172.8
[M+HCOO]- 395.057071 194.2
[M+CH3COO]- 409.072721 213.9
[M+Na-2H]- 371.033536 181.5
[M]+ 350.05832142 182.8
[M]- 350.05941858 182.8
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