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 176.5
[M+Na]+ 344.01754 181.4
[M-H]- 320.02104 180.5
[M+NH4]+ 339.06214 191.1
[M+K]+ 359.99148 174.5
[M+H-H2O]+ 304.02558 175.5
[M+HCOO]- 366.02652 193.5
[M+CH3COO]- 380.04217 202.7
[M+Na-2H]- 342.00299 179.6
[M]+ 321.02777 180.5
[M]- 321.02887 180.5
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.