CID 687332

(e)-9-(2-nitrovinyl)anthracene

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/[N+](=O)[O-]
InChI
InChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+
InChIKey
GYOMWYPUMGJROJ-MDZDMXLPSA-N
Compound name
9-[(E)-2-nitroethenyl]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

249.07898 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.086256 152.7
[M+Na]+ 272.068198 161.2
[M-H]- 248.071704 158.4
[M+NH4]+ 267.112803 171.1
[M+K]+ 288.042138 151.8
[M+H-H2O]+ 232.076240 149.9
[M+HCOO]- 294.077181 177.1
[M+CH3COO]- 308.092831 189.7
[M+Na-2H]- 270.053646 163.7
[M]+ 249.07843142 152.8
[M]- 249.07952858 152.8
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