CID 6434274

Beta-chloro-p-methylcinnamaldehyde

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC1=CC=C(C=C1)/C(=C/C=O)/Cl
InChI
InChI=1S/C10H9ClO/c1-8-2-4-9(5-3-8)10(11)6-7-12/h2-7H,1H3/b10-6-
InChIKey
MOFCXDAXCLPORX-POHAHGRESA-N
Compound name
(Z)-3-chloro-3-(4-methylphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

180.0342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 135.6
[M+Na]+ 203.02342 150.0
[M+NH4]+ 198.06802 144.8
[M+K]+ 218.99736 142.1
[M-H]- 179.02692 138.0
[M+Na-2H]- 201.00887 143.1
[M]+ 180.03365 138.6
[M]- 180.03475 138.6
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

patents stripe