CID 67970

2-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

32
References

11078
Patents

124.03244 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03972 121.6
[M+Na]+ 147.02166 134.9
[M+NH4]+ 142.06626 130.5
[M+K]+ 162.99560 128.0
[M-H]- 123.02516 122.8
[M+Na-2H]- 145.00711 129.3
[M]+ 124.03189 123.8
[M]- 124.03299 123.8
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