CID 6447968

Acrylophenone, 5'-iodo-2'-hydroxy-3-(p-nitrophenyl)-

Structural Information

Molecular Formula
C15H10INO4
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)I)O)[N+](=O)[O-]
InChI
InChI=1S/C15H10INO4/c16-11-4-8-15(19)13(9-11)14(18)7-3-10-1-5-12(6-2-10)17(20)21/h1-9,19H/b7-3+
InChIKey
IJZJOJRUYKMLNY-XVNBXDOJSA-N
Compound name
(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.96545 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.97273 180.1
[M+Na]+ 417.95467 179.5
[M-H]- 393.95817 178.3
[M+NH4]+ 412.99927 189.0
[M+K]+ 433.92861 177.1
[M+H-H2O]+ 377.96271 172.9
[M+HCOO]- 439.96365 197.5
[M+CH3COO]- 453.97930 200.2
[M+Na-2H]- 415.94012 171.8
[M]+ 394.96490 175.5
[M]- 394.96600 175.5
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.