CID 68009

3-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

10
References

7923
Patents

124.03244 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.039716 118.0
[M+Na]+ 147.021658 127.6
[M-H]- 123.025164 121.0
[M+NH4]+ 142.066263 140.5
[M+K]+ 162.995598 125.8
[M+H-H2O]+ 107.029700 112.2
[M+HCOO]- 169.030641 142.7
[M+CH3COO]- 183.046291 170.3
[M+Na-2H]- 145.007106 126.3
[M]+ 124.03189142 117.2
[M]- 124.03298858 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