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 163.4
[M+Na]+ 283.03752 170.4
[M-H]- 259.04102 168.6
[M+NH4]+ 278.08212 182.3
[M+K]+ 299.01146 166.6
[M+H-H2O]+ 243.04556 157.2
[M+HCOO]- 305.04650 181.5
[M+CH3COO]- 319.06215 200.4
[M+Na-2H]- 281.02297 167.3
[M]+ 260.04775 169.4
[M]- 260.04885 169.4
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.