CID 6062685

Nsc637688

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H11NO4/c17-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(9-6-12)16(19)20/h1-10,17H/b10-7+
InChIKey
USKFJPLTNCKQRC-JXMROGBWSA-N
Compound name
(E)-3-(2-hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 159.0
[M+Na]+ 292.05804 165.1
[M-H]- 268.06154 164.5
[M+NH4]+ 287.10264 173.3
[M+K]+ 308.03198 156.9
[M+H-H2O]+ 252.06608 156.0
[M+HCOO]- 314.06702 182.3
[M+CH3COO]- 328.08267 188.4
[M+Na-2H]- 290.04349 164.4
[M]+ 269.06827 156.8
[M]- 269.06937 156.8
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.