CID 3304269

477320-61-9

Structural Information

Molecular Formula
C16H14BrCl2NO
SMILES
CC1=C(C=CC(=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C16H14BrCl2NO/c1-10-8-12(3-4-13(10)17)20-7-6-16(21)11-2-5-14(18)15(19)9-11/h2-5,8-9,20H,6-7H2,1H3
InChIKey
HNZYEBQOKPZRMB-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-methylanilino)-1-(3,4-dichlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.9636 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.97088 175.6
[M+Na]+ 407.95282 188.3
[M-H]- 383.95632 184.1
[M+NH4]+ 402.99742 192.6
[M+K]+ 423.92676 172.7
[M+H-H2O]+ 367.96086 175.4
[M+HCOO]- 429.96180 187.7
[M+CH3COO]- 443.97745 215.5
[M+Na-2H]- 405.93827 178.7
[M]+ 384.96305 197.8
[M]- 384.96415 197.8
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.