CID 15925

2-furamide, n,n-bis(2-chloroethyl)-5-nitro-

Structural Information

Molecular Formula
C9H10Cl2N2O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C(=O)N(CCCl)CCCl
InChI
InChI=1S/C9H10Cl2N2O4/c10-3-5-12(6-4-11)9(14)7-1-2-8(17-7)13(15)16/h1-2H,3-6H2
InChIKey
WJJZNPNWOODGMS-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.00177 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00905 163.1
[M+Na]+ 302.99099 169.5
[M-H]- 278.99449 167.5
[M+NH4]+ 298.03559 179.8
[M+K]+ 318.96493 163.8
[M+H-H2O]+ 262.99903 163.0
[M+HCOO]- 324.99997 179.6
[M+CH3COO]- 339.01562 193.7
[M+Na-2H]- 300.97644 166.9
[M]+ 280.00122 168.0
[M]- 280.00232 168.0
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.