CID 3043776

Brn 2772082

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(C2=CC=C(C=C2)NC(=O)C)C(Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O2/c1-11(23)21-15-7-3-13(4-8-15)17(18(19)20)14-5-9-16(10-6-14)22-12(2)24/h3-10,17-18H,1-2H3,(H,21,23)(H,22,24)
InChIKey
CJRVEOIJWBDRCG-UHFFFAOYSA-N
Compound name
N-[4-[1-(4-acetamidophenyl)-2,2-dichloroethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07452 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08180 182.9
[M+Na]+ 387.06374 188.7
[M-H]- 363.06724 188.7
[M+NH4]+ 382.10834 196.0
[M+K]+ 403.03768 182.9
[M+H-H2O]+ 347.07178 176.6
[M+HCOO]- 409.07272 195.5
[M+CH3COO]- 423.08837 218.6
[M+Na-2H]- 385.04919 182.3
[M]+ 364.07397 185.7
[M]- 364.07507 185.7
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.