CID 121219

Brn 1392851

Structural Information

Molecular Formula
C9H11Cl2N3O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C(=O)NN(CCCl)CCCl
InChI
InChI=1S/C9H11Cl2N3O4/c10-3-5-13(6-4-11)12-9(15)7-1-2-8(18-7)14(16)17/h1-2H,3-6H2,(H,12,15)
InChIKey
FRQFZHXEYNBNEV-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-5-nitrofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.01266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.01994 160.9
[M+Na]+ 318.00188 170.7
[M+NH4]+ 313.04648 167.3
[M+K]+ 333.97582 170.1
[M-H]- 294.00538 164.0
[M+Na-2H]- 315.98733 164.0
[M]+ 295.01211 163.2
[M]- 295.01321 163.2
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.