CID 5357963

2-(2-nitroethenyl)naphthalene

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C12H9NO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+
InChIKey
FSQRAMKGHLSZCT-BQYQJAHWSA-N
Compound name
2-[(E)-2-nitroethenyl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

199.06332 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 140.4
[M+Na]+ 222.05254 147.8
[M-H]- 198.05604 145.0
[M+NH4]+ 217.09714 159.8
[M+K]+ 238.02648 140.2
[M+H-H2O]+ 182.06058 138.8
[M+HCOO]- 244.06152 165.2
[M+CH3COO]- 258.07717 178.8
[M+Na-2H]- 220.03799 150.3
[M]+ 199.06277 138.7
[M]- 199.06387 138.7
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