CID 9570349

2-furanacrolein, bis(2-chloroethyl)hydrazone

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]+ 261.055576 163.4
[M+Na]+ 283.037518 170.4
[M-H]- 259.041024 168.6
[M+NH4]+ 278.082123 182.3
[M+K]+ 299.011458 166.6
[M+H-H2O]+ 243.045560 157.2
[M+HCOO]- 305.046501 181.5
[M+CH3COO]- 319.062151 200.4
[M+Na-2H]- 281.022966 167.3
[M]+ 260.04775142 169.4
[M]- 260.04884858 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.