CID 6433304

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

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]+ 262.03963 160.8
[M+Na]+ 284.02157 168.1
[M-H]- 260.02507 165.1
[M+NH4]+ 279.06617 179.4
[M+K]+ 299.99551 164.5
[M+H-H2O]+ 244.02961 155.7
[M+HCOO]- 306.03055 175.9
[M+CH3COO]- 320.04620 195.8
[M+Na-2H]- 282.00702 163.2
[M]+ 261.03180 166.7
[M]- 261.03290 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.