CID 58856

(5-nitro-1-naphthyl)methylenemalononitrile

Structural Information

Molecular Formula
C14H7N3O2
SMILES
C1=CC(=C2C=CC=C(C2=C1)[N+](=O)[O-])C=C(C#N)C#N
InChI
InChI=1S/C14H7N3O2/c15-8-10(9-16)7-11-3-1-5-13-12(11)4-2-6-14(13)17(18)19/h1-7H
InChIKey
AFBYHNFGZKLUDZ-UHFFFAOYSA-N
Compound name
2-[(5-nitronaphthalen-1-yl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06111 177.4
[M+Na]+ 272.04305 187.1
[M-H]- 248.04655 180.4
[M+NH4]+ 267.08765 188.4
[M+K]+ 288.01699 177.7
[M+H-H2O]+ 232.05109 164.7
[M+HCOO]- 294.05203 189.1
[M+CH3COO]- 308.06768 219.1
[M+Na-2H]- 270.02850 179.0
[M]+ 249.05328 167.7
[M]- 249.05438 167.7
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.