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]+ 221.05568 149.4
[M+Na]+ 243.03762 155.3
[M-H]- 219.04112 152.9
[M+NH4]+ 238.08222 165.5
[M+K]+ 259.01156 144.4
[M+H-H2O]+ 203.04566 152.0
[M+HCOO]- 265.04660 175.4
[M+CH3COO]- 279.06225 176.0
[M+Na-2H]- 241.02307 157.5
[M]+ 220.04785 145.9
[M]- 220.04895 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.