CID 3790190

493036-47-8

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1=CC(=CC=C1C(C=O)C=O)F
InChI
InChI=1S/C9H7FO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
InChIKey
XTWZIHLYYBWUKD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)propanedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

166.04301 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.050286 129.6
[M+Na]+ 189.032228 138.4
[M-H]- 165.035734 132.3
[M+NH4]+ 184.076833 150.3
[M+K]+ 205.006168 136.4
[M+H-H2O]+ 149.040270 123.3
[M+HCOO]- 211.041211 153.1
[M+CH3COO]- 225.056861 178.2
[M+Na-2H]- 187.017676 135.5
[M]+ 166.04246142 129.7
[M]- 166.04355858 129.7
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