CID 96067

Pyrrole, 2,4-dinitro-1-ethyl-

Structural Information

Molecular Formula
C6H7N3O4
SMILES
CCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O4/c1-2-7-4-5(8(10)11)3-6(7)9(12)13/h3-4H,2H2,1H3
InChIKey
VIQVAYRFWKGJEJ-UHFFFAOYSA-N
Compound name
1-ethyl-2,4-dinitropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.04366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05094 139.2
[M+Na]+ 208.03288 151.0
[M+NH4]+ 203.07748 146.0
[M+K]+ 224.00682 153.1
[M-H]- 184.03638 141.7
[M+Na-2H]- 206.01833 143.0
[M]+ 185.04311 141.1
[M]- 185.04421 141.1
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.