CID 5381137

Benzene, p-bis(2-nitrovinyl)-

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=CC(=CC=C1/C=C/[N+](=O)[O-])/C=C\[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H/b7-5-,8-6+
InChIKey
ZMBDJGCBGDJQOP-CGXWXWIYSA-N
Compound name
1-[(Z)-2-nitroethenyl]-4-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 149.4
[M+Na]+ 243.037618 155.3
[M-H]- 219.041124 152.9
[M+NH4]+ 238.082223 165.5
[M+K]+ 259.011558 144.4
[M+H-H2O]+ 203.045660 152.0
[M+HCOO]- 265.046601 175.4
[M+CH3COO]- 279.062251 176.0
[M+Na-2H]- 241.023066 157.5
[M]+ 220.04785142 145.9
[M]- 220.04894858 145.9
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.