CID 11217342

4-fluorocinnamaldehyde

Structural Information

Molecular Formula
C9H7FO
SMILES
C1=CC(=CC=C1/C=C/C=O)F
InChI
InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey
YSIYEWBILJZDQH-OWOJBTEDSA-N
Compound name
(E)-3-(4-fluorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

366
Patents

150.0481 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 126.2
[M+Na]+ 173.03732 135.4
[M-H]- 149.04082 128.9
[M+NH4]+ 168.08192 147.7
[M+K]+ 189.01126 132.5
[M+H-H2O]+ 133.04536 120.2
[M+HCOO]- 195.04630 150.5
[M+CH3COO]- 209.06195 174.8
[M+Na-2H]- 171.02277 133.4
[M]+ 150.04755 125.4
[M]- 150.04865 125.4
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