CID 6433314

Brn 1655476

Structural Information

Molecular Formula
C11H13Cl2N3O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)NN(CCCl)CCCl
InChI
InChI=1S/C11H13Cl2N3O4/c12-5-7-15(8-6-13)14-10(17)3-1-9-2-4-11(20-9)16(18)19/h1-4H,5-8H2,(H,14,17)/b3-1+
InChIKey
FQNQVPFBNHSYMI-HNQUOIGGSA-N
Compound name
(E)-N',N'-bis(2-chloroethyl)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.02832 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03560 169.1
[M+Na]+ 344.01754 178.6
[M+NH4]+ 339.06214 174.9
[M+K]+ 359.99148 177.4
[M-H]- 320.02104 171.9
[M+Na-2H]- 342.00299 171.6
[M]+ 321.02777 171.3
[M]- 321.02887 171.3
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.