CID 3051611

Ai3-62002

Structural Information

Molecular Formula
C11H12Cl2N
SMILES
C[N+](=CC=C(C1=CC=C(C=C1)Cl)Cl)C
InChI
InChI=1S/C11H12Cl2N/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9/h3-8H,1-2H3/q+1
InChIKey
ADZWREIHHCLCJO-UHFFFAOYSA-N
Compound name
[3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

228.03468 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04196 148.4
[M+Na]+ 251.02390 156.5
[M-H]- 227.02740 152.6
[M+NH4]+ 246.06850 167.9
[M+K]+ 266.99784 146.0
[M+H-H2O]+ 211.03194 146.9
[M+HCOO]- 273.03288 163.2
[M+CH3COO]- 287.04853 186.2
[M+Na-2H]- 249.00935 153.8
[M]+ 228.03413 149.7
[M]- 228.03523 149.7
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.