CID 4414903

882748-57-4

Structural Information

Molecular Formula
C15H12BrCl2NO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=C(C=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C15H12BrCl2NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-14-6-5-12(17)9-13(14)18/h1-6,9,19H,7-8H2
InChIKey
SLPIPQKOUMXLDG-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(2,4-dichloroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.94794 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.95522 171.3
[M+Na]+ 393.93716 183.6
[M-H]- 369.94066 179.6
[M+NH4]+ 388.98176 188.6
[M+K]+ 409.91110 168.2
[M+H-H2O]+ 353.94520 171.1
[M+HCOO]- 415.94614 183.8
[M+CH3COO]- 429.96179 211.7
[M+Na-2H]- 391.92261 175.6
[M]+ 370.94739 192.9
[M]- 370.94849 192.9
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.