CID 222855

N-(1-nitro-naphthalen-2-yl)-acetamide

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CC(=O)NC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O3/c1-8(15)13-11-7-6-9-4-2-3-5-10(9)12(11)14(16)17/h2-7H,1H3,(H,13,15)
InChIKey
ZDOWETIOQWADNW-UHFFFAOYSA-N
Compound name
N-(1-nitronaphthalen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

230.06914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 145.9
[M+Na]+ 253.05836 152.8
[M-H]- 229.06186 150.7
[M+NH4]+ 248.10296 163.7
[M+K]+ 269.03230 146.2
[M+H-H2O]+ 213.06640 143.9
[M+HCOO]- 275.06734 170.8
[M+CH3COO]- 289.08299 187.4
[M+Na-2H]- 251.04381 154.6
[M]+ 230.06859 144.6
[M]- 230.06969 144.6
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