CID 101249

2-(4-fluorophenyl)-2-oxoacetaldehyde

Structural Information

Molecular Formula
C8H5FO2
SMILES
C1=CC(=CC=C1C(=O)C=O)F
InChI
InChI=1S/C8H5FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5H
InChIKey
IPWSCROFORAGJW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

267
Patents

152.02736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03464 128.9
[M+Na]+ 175.01658 141.2
[M+NH4]+ 170.06118 136.6
[M+K]+ 190.99052 135.3
[M-H]- 151.02008 129.1
[M+Na-2H]- 173.00203 135.4
[M]+ 152.02681 130.5
[M]- 152.02791 130.5
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

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