CID 6433311

N,n-bis(2-chloroethyl)-5-nitro-2-furanacrylamide

Structural Information

Molecular Formula
C11H12Cl2N2O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)N(CCCl)CCCl
InChI
InChI=1S/C11H12Cl2N2O4/c12-5-7-14(8-6-13)10(16)3-1-9-2-4-11(19-9)15(17)18/h1-4H,5-8H2/b3-1+
InChIKey
PYHKCKHIHGBEBV-HNQUOIGGSA-N
Compound name
(E)-N,N-bis(2-chloroethyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.01743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02471 172.5
[M+Na]+ 329.00665 178.4
[M-H]- 305.01015 176.6
[M+NH4]+ 324.05125 188.1
[M+K]+ 344.98059 171.6
[M+H-H2O]+ 289.01469 172.0
[M+HCOO]- 351.01563 188.5
[M+CH3COO]- 365.03128 197.9
[M+Na-2H]- 326.99210 175.2
[M]+ 306.01688 177.3
[M]- 306.01798 177.3
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.