CID 39389

4-vinylbenzaldehyde

Structural Information

Molecular Formula
C9H8O
SMILES
C=CC1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2
InChIKey
QBFNGLBSVFKILI-UHFFFAOYSA-N
Compound name
4-ethenylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1587
Patents

132.05751 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 123.2
[M+Na]+ 155.04673 132.2
[M-H]- 131.05023 127.3
[M+NH4]+ 150.09133 145.4
[M+K]+ 171.02067 129.8
[M+H-H2O]+ 115.05477 118.1
[M+HCOO]- 177.05571 148.5
[M+CH3COO]- 191.07136 172.7
[M+Na-2H]- 153.03218 131.0
[M]+ 132.05696 123.6
[M]- 132.05806 123.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe