CID 154700116

Ns00117825

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1=CC=C2C(=C1)C3=C4C(C=CC=C4C2=O)C(C=C3)NO
InChI
InChI=1S/C17H13NO2/c19-17-12-5-2-1-4-10(12)11-8-9-15(18-20)13-6-3-7-14(17)16(11)13/h1-9,13,15,18,20H
InChIKey
YNTLLJJVUJRBPX-UHFFFAOYSA-N
Compound name
3-(hydroxyamino)-3,3a-dihydrobenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 154.9
[M+Na]+ 286.08386 163.2
[M-H]- 262.08736 159.2
[M+NH4]+ 281.12846 173.9
[M+K]+ 302.05780 157.5
[M+H-H2O]+ 246.09190 147.5
[M+HCOO]- 308.09284 173.2
[M+CH3COO]- 322.10849 166.5
[M+Na-2H]- 284.06931 164.0
[M]+ 263.09409 153.9
[M]- 263.09519 153.9
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

No patent data available for this compound.