CID 24832119

3,4-dichlorobenzylidineaminoacetaldehyde diethyl acetal

Structural Information

Molecular Formula
C13H15Cl2NO3
SMILES
CCOC(C=O)(/N=C/C1=CC(=C(C=C1)Cl)Cl)OCC
InChI
InChI=1S/C13H15Cl2NO3/c1-3-18-13(9-17,19-4-2)16-8-10-5-6-11(14)12(15)7-10/h5-9H,3-4H2,1-2H3/b16-8+
InChIKey
GOSSJWHVCSCVQG-LZYBPNLTSA-N
Compound name
2-[(E)-(3,4-dichlorophenyl)methylideneamino]-2,2-diethoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0429 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05018 165.5
[M+Na]+ 326.03212 174.7
[M-H]- 302.03562 170.0
[M+NH4]+ 321.07672 182.8
[M+K]+ 342.00606 170.0
[M+H-H2O]+ 286.04016 160.6
[M+HCOO]- 348.04110 181.1
[M+CH3COO]- 362.05675 205.3
[M+Na-2H]- 324.01757 170.5
[M]+ 303.04235 174.2
[M]- 303.04345 174.2
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.