CID 1550197

Nsc646498

Structural Information

Molecular Formula
C16H11NO4
SMILES
C1/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C3=CC=CC=C3O1
InChI
InChI=1S/C16H11NO4/c18-16-12(10-21-15-7-2-1-6-14(15)16)8-11-4-3-5-13(9-11)17(19)20/h1-9H,10H2/b12-8-
InChIKey
NBQPUTOGVZAGGJ-WQLSENKSSA-N
Compound name
(3Z)-3-[(3-nitrophenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07610 161.1
[M+Na]+ 304.05804 167.6
[M-H]- 280.06154 169.2
[M+NH4]+ 299.10264 175.4
[M+K]+ 320.03198 160.4
[M+H-H2O]+ 264.06608 157.5
[M+HCOO]- 326.06702 182.5
[M+CH3COO]- 340.08267 193.3
[M+Na-2H]- 302.04349 169.0
[M]+ 281.06827 158.7
[M]- 281.06937 158.7
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.