CID 68023

4-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H5FO
SMILES
C1=CC(=CC=C1C=O)F
InChI
InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
UOQXIWFBQSVDPP-UHFFFAOYSA-N
Compound name
4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

88
References

24457
Patents

124.03244 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03972 118.0
[M+Na]+ 147.02166 127.6
[M-H]- 123.02516 121.0
[M+NH4]+ 142.06626 140.5
[M+K]+ 162.99560 125.8
[M+H-H2O]+ 107.02970 112.2
[M+HCOO]- 169.03064 142.7
[M+CH3COO]- 183.04629 170.3
[M+Na-2H]- 145.00711 126.3
[M]+ 124.03189 117.2
[M]- 124.03299 117.2
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

No patent data available for this compound.