CID 11767

9-nitroanthracene

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[N+](=O)[O-]
InChI
InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKey
LSIKFJXEYJIZNB-UHFFFAOYSA-N
Compound name
9-nitroanthracene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

55
References

882
Patents

223.06332 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 143.6
[M+Na]+ 246.05254 152.6
[M-H]- 222.05604 149.6
[M+NH4]+ 241.09714 163.1
[M+K]+ 262.02648 144.3
[M+H-H2O]+ 206.06058 141.2
[M+HCOO]- 268.06152 168.5
[M+CH3COO]- 282.07717 185.3
[M+Na-2H]- 244.03799 155.8
[M]+ 223.06277 143.8
[M]- 223.06387 143.8
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

patents stripe