CID 15923

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

Structural Information

Molecular Formula
C9H11Cl2NO2
SMILES
C1=COC(=C1)C(=O)N(CCCl)CCCl
InChI
InChI=1S/C9H11Cl2NO2/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3-6H2
InChIKey
FDXZANUMEUHQMF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.01668 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02396 151.9
[M+Na]+ 258.00590 159.6
[M-H]- 234.00940 156.5
[M+NH4]+ 253.05050 171.5
[M+K]+ 273.97984 157.1
[M+H-H2O]+ 218.01394 147.1
[M+HCOO]- 280.01488 167.5
[M+CH3COO]- 294.03053 191.4
[M+Na-2H]- 255.99135 155.4
[M]+ 235.01613 157.8
[M]- 235.01723 157.8
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.