CID 6158871

3-(3-bromophenyl)-n-(3,5-dichlorophenyl)acrylamide

Structural Information

Molecular Formula
C15H10BrCl2NO
SMILES
C1=CC(=CC(=C1)Br)/C=C/C(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H10BrCl2NO/c16-11-3-1-2-10(6-11)4-5-15(20)19-14-8-12(17)7-13(18)9-14/h1-9H,(H,19,20)/b5-4+
InChIKey
JCYPLOQMBNNZBT-SNAWJCMRSA-N
Compound name
(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.93228 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.93956 170.6
[M+Na]+ 391.92150 183.4
[M-H]- 367.92500 179.1
[M+NH4]+ 386.96610 188.1
[M+K]+ 407.89544 167.4
[M+H-H2O]+ 351.92954 170.6
[M+HCOO]- 413.93048 183.4
[M+CH3COO]- 427.94613 209.8
[M+Na-2H]- 389.90695 174.9
[M]+ 368.93173 191.4
[M]- 368.93283 191.4
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.