CID 5747971

Methanone, (3,4-dihydroxy-5-nitrophenyl)(3-pyridinyl)-

Structural Information

Molecular Formula
C12H8N2O5
SMILES
C1=CC(=CN=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O5/c15-10-5-8(4-9(12(10)17)14(18)19)11(16)7-2-1-3-13-6-7/h1-6,15,17H
InChIKey
VNKJWRKXIBFROA-UHFFFAOYSA-N
Compound name
(3,4-dihydroxy-5-nitrophenyl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.04333 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05061 152.7
[M+Na]+ 283.03255 166.6
[M+NH4]+ 278.07715 158.8
[M+K]+ 299.00649 164.7
[M-H]- 259.03605 155.7
[M+Na-2H]- 281.01800 159.6
[M]+ 260.04278 155.2
[M]- 260.04388 155.2
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

patents stripe