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 133.4
[M+Na]+ 203.02342 143.5
[M-H]- 179.02692 137.6
[M+NH4]+ 198.06802 154.8
[M+K]+ 218.99736 139.1
[M+H-H2O]+ 163.03146 129.3
[M+HCOO]- 225.03240 152.8
[M+CH3COO]- 239.04805 181.6
[M+Na-2H]- 201.00887 138.3
[M]+ 180.03365 135.9
[M]- 180.03475 135.9
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.