CID 6433304

2-furanacrylamide, n,n-bis(2-chloroethyl)-

Structural Information

Molecular Formula
C11H13Cl2NO2
SMILES
C1=COC(=C1)/C=C/C(=O)N(CCCl)CCCl
InChI
InChI=1S/C11H13Cl2NO2/c12-5-7-14(8-6-13)11(15)4-3-10-2-1-9-16-10/h1-4,9H,5-8H2/b4-3+
InChIKey
NIFMCGYREPCMKU-ONEGZZNKSA-N
Compound name
(E)-N,N-bis(2-chloroethyl)-3-(furan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.039626 160.8
[M+Na]+ 284.021568 168.1
[M-H]- 260.025074 165.1
[M+NH4]+ 279.066173 179.4
[M+K]+ 299.995508 164.5
[M+H-H2O]+ 244.029610 155.7
[M+HCOO]- 306.030551 175.9
[M+CH3COO]- 320.046201 195.8
[M+Na-2H]- 282.007016 163.2
[M]+ 261.03180142 166.7
[M]- 261.03289858 166.7
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.