CID 42453

8-methoxy-3-nitro-2-phenyl-2h-chromene

Structural Information

Molecular Formula
C16H13NO4
SMILES
COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C16H13NO4/c1-20-14-9-5-8-12-10-13(17(18)19)15(21-16(12)14)11-6-3-2-4-7-11/h2-10,15H,1H3
InChIKey
VZZMTGKGLHHYIS-UHFFFAOYSA-N
Compound name
8-methoxy-3-nitro-2-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08447 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.091746 162.1
[M+Na]+ 306.073688 168.9
[M-H]- 282.077194 170.4
[M+NH4]+ 301.118293 176.4
[M+K]+ 322.047628 162.7
[M+H-H2O]+ 266.081730 158.2
[M+HCOO]- 328.082671 184.4
[M+CH3COO]- 342.098321 195.4
[M+Na-2H]- 304.059136 170.9
[M]+ 283.08392142 162.5
[M]- 283.08501858 162.5
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.