CID 1805109

124852-48-8

Structural Information

Molecular Formula
C11H13ClN
SMILES
C[N+](=C/C=C(/C1=CC=CC=C1)\Cl)C
InChI
InChI=1S/C11H13ClN/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-9H,1-2H3/q+1/b11-8-
InChIKey
AITWTWXVEQBNJP-FLIBITNWSA-N
Compound name
[(Z)-3-chloro-3-phenylprop-2-enylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08093 142.9
[M+Na]+ 217.06287 149.8
[M-H]- 193.06637 147.6
[M+NH4]+ 212.10747 163.2
[M+K]+ 233.03681 140.7
[M+H-H2O]+ 177.07091 140.4
[M+HCOO]- 239.07185 162.8
[M+CH3COO]- 253.08750 180.4
[M+Na-2H]- 215.04832 149.8
[M]+ 194.07310 142.6
[M]- 194.07420 142.6
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.