CID 9570350

5-nitro-2-furaldehyde bis(2-chloroethyl)hydrazone

Structural Information

Molecular Formula
C9H11Cl2N3O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/N(CCCl)CCCl
InChI
InChI=1S/C9H11Cl2N3O3/c10-3-5-13(6-4-11)12-7-8-1-2-9(17-8)14(15)16/h1-2,7H,3-6H2/b12-7+
InChIKey
FJOCAFVYTYRMEW-KPKJPENVSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.01776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.02504 166.1
[M+Na]+ 302.00698 172.3
[M-H]- 278.01048 171.5
[M+NH4]+ 297.05158 183.2
[M+K]+ 317.98092 166.4
[M+H-H2O]+ 262.01502 165.0
[M+HCOO]- 324.01596 185.6
[M+CH3COO]- 338.03161 198.4
[M+Na-2H]- 299.99243 171.4
[M]+ 279.01721 171.2
[M]- 279.01831 171.2
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.