CID 6081536

59258-23-0

Structural Information

Molecular Formula
C15H10BrNO3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H10BrNO3/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(10-11)17(19)20/h1-10H/b9-4+
InChIKey
CTGTZDHCXARJAP-RUDMXATFSA-N
Compound name
(E)-1-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.9844 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99168 168.4
[M+Na]+ 353.97362 177.7
[M-H]- 329.97712 177.3
[M+NH4]+ 349.01822 184.8
[M+K]+ 369.94756 161.7
[M+H-H2O]+ 313.98166 170.9
[M+HCOO]- 375.98260 190.3
[M+CH3COO]- 389.99825 198.4
[M+Na-2H]- 351.95907 174.6
[M]+ 330.98385 186.0
[M]- 330.98495 186.0
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.