CID 58595

N-(1-naphthyl)-2-nitroacetamide

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3/c15-12(8-14(16)17)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,15)
InChIKey
DQVOJTDRCCZEJJ-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-2-nitroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.076416 146.0
[M+Na]+ 253.058358 151.9
[M-H]- 229.061864 150.4
[M+NH4]+ 248.102963 163.5
[M+K]+ 269.032298 145.3
[M+H-H2O]+ 213.066400 143.7
[M+HCOO]- 275.067341 170.9
[M+CH3COO]- 289.082991 186.3
[M+Na-2H]- 251.043806 155.4
[M]+ 230.06859142 144.3
[M]- 230.06968858 144.3
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.