CID 3378365

2,3-naphthalenedicarboxaldehyde, 5-nitro-

Structural Information

Molecular Formula
C12H7NO4
SMILES
C1=CC2=CC(=C(C=C2C(=C1)[N+](=O)[O-])C=O)C=O
InChI
InChI=1S/C12H7NO4/c14-6-9-4-8-2-1-3-12(13(16)17)11(8)5-10(9)7-15/h1-7H
InChIKey
QPGMESNZJCVKOW-UHFFFAOYSA-N
Compound name
5-nitronaphthalene-2,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.0375 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04478 144.8
[M+Na]+ 252.02672 153.9
[M-H]- 228.03022 150.1
[M+NH4]+ 247.07132 163.2
[M+K]+ 268.00066 146.8
[M+H-H2O]+ 212.03476 143.1
[M+HCOO]- 274.03570 170.0
[M+CH3COO]- 288.05135 184.8
[M+Na-2H]- 250.01217 153.7
[M]+ 229.03695 146.0
[M]- 229.03805 146.0
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