CID 9554463

Nsc144460

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C/C(=N\O)/C1=C2C(=CC=C3C2=C(CC3)C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O3/c1-8(15-17)11-6-4-9-2-3-10-5-7-12(16(18)19)14(11)13(9)10/h4-7,17H,2-3H2,1H3/b15-8+
InChIKey
BBRAMIJYBZOKNJ-OVCLIPMQSA-N
Compound name
(NE)-N-[1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 153.9
[M+Na]+ 279.07400 160.5
[M-H]- 255.07750 158.8
[M+NH4]+ 274.11860 173.7
[M+K]+ 295.04794 153.3
[M+H-H2O]+ 239.08204 152.4
[M+HCOO]- 301.08298 177.1
[M+CH3COO]- 315.09863 193.8
[M+Na-2H]- 277.05945 161.2
[M]+ 256.08423 153.5
[M]- 256.08533 153.5
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.