CID 15811999

75321-89-0

Structural Information

Molecular Formula
C8H7FO
SMILES
C1=CC(=CC(=C1)F)CC=O
InChI
InChI=1S/C8H7FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2
InChIKey
KWRVVGCOELJXPN-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

355
Patents

138.0481 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05538 122.8
[M+Na]+ 161.03732 131.9
[M-H]- 137.04082 125.6
[M+NH4]+ 156.08192 144.8
[M+K]+ 177.01126 129.9
[M+H-H2O]+ 121.04536 116.8
[M+HCOO]- 183.04630 147.1
[M+CH3COO]- 197.06195 173.3
[M+Na-2H]- 159.02277 130.5
[M]+ 138.04755 122.4
[M]- 138.04865 122.4
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