CID 94860

2-nitrophenanthraquinone

Structural Information

Molecular Formula
C14H7NO4
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
InChI
InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
InChIKey
KNAXWOBOCVVMST-UHFFFAOYSA-N
Compound name
2-nitrophenanthrene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

66
Patents

253.0375 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04478 149.4
[M+Na]+ 276.02672 158.4
[M-H]- 252.03022 155.4
[M+NH4]+ 271.07132 167.6
[M+K]+ 292.00066 150.6
[M+H-H2O]+ 236.03476 147.1
[M+HCOO]- 298.03570 172.1
[M+CH3COO]- 312.05135 190.4
[M+Na-2H]- 274.01217 158.8
[M]+ 253.03695 149.0
[M]- 253.03805 149.0
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

No patent data available for this compound.