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

24168
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

literature stripe

Patent stripe

patents stripe