CID 42454

6-methoxy-3-nitro-2-phenyl-2h-1-benzopyran

Structural Information

Molecular Formula
C16H13NO4
SMILES
COC1=CC2=C(C=C1)OC(C(=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C16H13NO4/c1-20-13-7-8-15-12(9-13)10-14(17(18)19)16(21-15)11-5-3-2-4-6-11/h2-10,16H,1H3
InChIKey
BYTMTVAVPIPXIT-UHFFFAOYSA-N
Compound name
6-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]+ 284.09175 160.7
[M+Na]+ 306.07369 177.3
[M+NH4]+ 301.11829 169.8
[M+K]+ 322.04763 172.2
[M-H]- 282.07719 168.8
[M+Na-2H]- 304.05914 169.3
[M]+ 283.08392 165.5
[M]- 283.08502 165.5
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.