CID 5228478

303061-49-6

Structural Information

Molecular Formula
C22H18BrCl3N2O
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C22H18BrCl3N2O/c23-17-11-13-18(14-12-17)27-21(22(24,25)26)28-20(29)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,21,27H,(H,28,29)
InChIKey
ONBSPWMUYVKFBM-UHFFFAOYSA-N
Compound name
N-[1-(4-bromoanilino)-2,2,2-trichloroethyl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

509.9668 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.97408 203.4
[M+Na]+ 532.95602 211.2
[M-H]- 508.95952 212.2
[M+NH4]+ 528.00062 214.2
[M+K]+ 548.92996 195.8
[M+H-H2O]+ 492.96406 201.8
[M+HCOO]- 554.96500 207.6
[M+CH3COO]- 568.98065 233.6
[M+Na-2H]- 530.94147 206.0
[M]+ 509.96625 222.6
[M]- 509.96735 222.6
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.