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]+ 181.041476 133.4
[M+Na]+ 203.023418 143.5
[M-H]- 179.026924 137.6
[M+NH4]+ 198.068023 154.8
[M+K]+ 218.997358 139.1
[M+H-H2O]+ 163.031460 129.3
[M+HCOO]- 225.032401 152.8
[M+CH3COO]- 239.048051 181.6
[M+Na-2H]- 201.008866 138.3
[M]+ 180.03365142 135.9
[M]- 180.03474858 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.