CID 6434506

Beta-chloro-p-iodocinnamaldehyde

Structural Information

Molecular Formula
C9H6ClIO
SMILES
C1=CC(=CC=C1/C(=C/C=O)/Cl)I
InChI
InChI=1S/C9H6ClIO/c10-9(5-6-12)7-1-3-8(11)4-2-7/h1-6H/b9-5-
InChIKey
DTYZDNZSCHLPHY-UITAMQMPSA-N
Compound name
(Z)-3-chloro-3-(4-iodophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.9152 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.92248 143.6
[M+Na]+ 314.90442 150.0
[M+NH4]+ 309.94902 148.2
[M+K]+ 330.87836 145.8
[M-H]- 290.90792 139.5
[M+Na-2H]- 312.88987 138.3
[M]+ 291.91465 142.5
[M]- 291.91575 142.5
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

patents stripe