CID 89678

7-nitro-6h-dibenzo[b,d]pyran-6-one

Structural Information

Molecular Formula
C13H7NO4
SMILES
C1=CC=C2C(=C1)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O2
InChI
InChI=1S/C13H7NO4/c15-13-12-9(5-3-6-10(12)14(16)17)8-4-1-2-7-11(8)18-13/h1-7H
InChIKey
RRBHCIXYRBIXMK-UHFFFAOYSA-N
Compound name
7-nitrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.0375 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.044776 145.1
[M+Na]+ 264.026718 155.6
[M-H]- 240.030224 152.4
[M+NH4]+ 259.071323 162.7
[M+K]+ 280.000658 149.1
[M+H-H2O]+ 224.034760 142.6
[M+HCOO]- 286.035701 169.9
[M+CH3COO]- 300.051351 186.9
[M+Na-2H]- 262.012166 158.2
[M]+ 241.03695142 148.1
[M]- 241.03804858 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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