CID 24776858

5-chloro-2-(prop-1-en-2-yl)benzaldehyde

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC(=C)C1=C(C=C(C=C1)Cl)C=O
InChI
InChI=1S/C10H9ClO/c1-7(2)10-4-3-9(11)5-8(10)6-12/h3-6H,1H2,2H3
InChIKey
AFGMXZPYHAGYNL-UHFFFAOYSA-N
Compound name
5-chloro-2-prop-1-en-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0342 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 135.0
[M+Na]+ 203.02342 149.7
[M+NH4]+ 198.06802 144.2
[M+K]+ 218.99736 142.1
[M-H]- 179.02692 137.4
[M+Na-2H]- 201.00887 142.3
[M]+ 180.03365 138.1
[M]- 180.03475 138.1
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.