CID 265701

70460-54-7

Structural Information

Molecular Formula
C17H15NO6
SMILES
COC1(C(C(=O)C2=CC=CC=C2O1)(C[N+](=O)[O-])O)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO6/c1-23-17(12-7-3-2-4-8-12)16(20,11-18(21)22)15(19)13-9-5-6-10-14(13)24-17/h2-10,20H,11H2,1H3
InChIKey
PBZFEPNRSHWVMA-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methoxy-3-(nitromethyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.08994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 172.1
[M+Na]+ 352.07916 178.9
[M-H]- 328.08266 179.2
[M+NH4]+ 347.12376 187.5
[M+K]+ 368.05310 173.3
[M+H-H2O]+ 312.08720 168.9
[M+HCOO]- 374.08814 191.6
[M+CH3COO]- 388.10379 198.8
[M+Na-2H]- 350.06461 182.1
[M]+ 329.08939 172.7
[M]- 329.09049 172.7
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.