CID 5355406

1-(5-nitro-2-furyl)-2-nitroethylene

Structural Information

Molecular Formula
C6H4N2O5
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H4N2O5/c9-7(10)4-3-5-1-2-6(13-5)8(11)12/h1-4H/b4-3+
InChIKey
NMZDNQIJZAERIO-ONEGZZNKSA-N
Compound name
2-nitro-5-[(E)-2-nitroethenyl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.01202 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01930 138.7
[M+Na]+ 207.00124 145.5
[M-H]- 183.00474 143.3
[M+NH4]+ 202.04584 156.5
[M+K]+ 222.97518 137.5
[M+H-H2O]+ 167.00928 142.1
[M+HCOO]- 229.01022 165.5
[M+CH3COO]- 243.02587 168.1
[M+Na-2H]- 204.98669 148.4
[M]+ 184.01147 136.8
[M]- 184.01257 136.8
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