CID 101249

403-32-7

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

314
Patents

152.02736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.034636 124.8
[M+Na]+ 175.016578 134.0
[M-H]- 151.020084 127.7
[M+NH4]+ 170.061183 146.0
[M+K]+ 190.990518 132.3
[M+H-H2O]+ 135.024620 118.8
[M+HCOO]- 197.025561 148.6
[M+CH3COO]- 211.041211 175.2
[M+Na-2H]- 173.002026 131.3
[M]+ 152.02681142 124.5
[M]- 152.02790858 124.5
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

patents stripe