CID 9582934

Ccg-49065

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C/C(=N\O)/C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O4/c1-6(11-13)10-5-7-4-8(12(14)15)2-3-9(7)16-10/h2-5,13H,1H3/b11-6+
InChIKey
KKMUQPHMNUHMAA-IZZDOVSWSA-N
Compound name
(NE)-N-[1-(5-nitro-1-benzofuran-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0484 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 142.5
[M+Na]+ 243.037618 151.0
[M-H]- 219.041124 148.7
[M+NH4]+ 238.082223 161.3
[M+K]+ 259.011558 146.1
[M+H-H2O]+ 203.045660 141.2
[M+HCOO]- 265.046601 169.4
[M+CH3COO]- 279.062251 183.2
[M+Na-2H]- 241.023066 151.9
[M]+ 220.04785142 144.4
[M]- 220.04894858 144.4
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.