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]+ 167.05029 129.6
[M+Na]+ 189.03223 138.4
[M-H]- 165.03573 132.3
[M+NH4]+ 184.07683 150.3
[M+K]+ 205.00617 136.4
[M+H-H2O]+ 149.04027 123.3
[M+HCOO]- 211.04121 153.1
[M+CH3COO]- 225.05686 178.2
[M+Na-2H]- 187.01768 135.5
[M]+ 166.04246 129.7
[M]- 166.04356 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