CID 7275257

N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)-2-propenamide

Structural Information

Molecular Formula
C15H10BrClFNO
SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)NC2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C15H10BrClFNO/c16-11-5-6-14(13(17)9-11)19-15(20)7-4-10-2-1-3-12(18)8-10/h1-9H,(H,19,20)/b7-4+
InChIKey
OQJJHKNYOCNNPM-QPJJXVBHSA-N
Compound name
(E)-N-(4-bromo-2-chlorophenyl)-3-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.96182 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.96910 169.7
[M+Na]+ 375.95104 181.8
[M-H]- 351.95454 177.6
[M+NH4]+ 370.99564 187.2
[M+K]+ 391.92498 166.7
[M+H-H2O]+ 335.95908 168.1
[M+HCOO]- 397.96002 186.3
[M+CH3COO]- 411.97567 208.3
[M+Na-2H]- 373.93649 173.9
[M]+ 352.96127 188.5
[M]- 352.96237 188.5
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.