CID 14069333

84819-46-5

Structural Information

Molecular Formula
C10H9FO2
SMILES
C1=CC(=CC=C1C(=O)CCC=O)F
InChI
InChI=1S/C10H9FO2/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-7H,1-2H2
InChIKey
IUPCCVUTZAKOGW-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-4-oxobutanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

180.05865 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06593 134.4
[M+Na]+ 203.04787 142.7
[M-H]- 179.05137 136.9
[M+NH4]+ 198.09247 154.5
[M+K]+ 219.02181 140.4
[M+H-H2O]+ 163.05591 127.9
[M+HCOO]- 225.05685 157.5
[M+CH3COO]- 239.07250 181.3
[M+Na-2H]- 201.03332 139.7
[M]+ 180.05810 134.8
[M]- 180.05920 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe