CID 10197782

3-(4-fluorophenyl)propanal

Structural Information

Molecular Formula
C9H9FO
SMILES
C1=CC(=CC=C1CCC=O)F
InChI
InChI=1S/C9H9FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
InChIKey
QZXPSIARJQTDNQ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

152.06374 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 127.5
[M+Na]+ 175.052958 136.3
[M-H]- 151.056464 130.1
[M+NH4]+ 170.097563 148.9
[M+K]+ 191.026898 134.0
[M+H-H2O]+ 135.061000 121.3
[M+HCOO]- 197.061941 151.6
[M+CH3COO]- 211.077591 176.4
[M+Na-2H]- 173.038406 134.7
[M]+ 152.06319142 127.5
[M]- 152.06428858 127.5
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