CID 9570349

19819-36-4

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
C1=COC(=C1)/C=C/C=N/N(CCCl)CCCl
InChI
InChI=1S/C11H14Cl2N2O/c12-5-8-15(9-6-13)14-7-1-3-11-4-2-10-16-11/h1-4,7,10H,5-6,8-9H2/b3-1+,14-7+
InChIKey
ZKLDXDONVQOSPW-VCONWJEQSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 158.5
[M+Na]+ 283.03752 169.4
[M+NH4]+ 278.08212 166.5
[M+K]+ 299.01146 163.0
[M-H]- 259.04102 162.1
[M+Na-2H]- 281.02297 163.6
[M]+ 260.04775 161.4
[M]- 260.04885 161.4
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.