CID 9707

2-fluorophenol

Structural Information

Molecular Formula
C6H5FO
SMILES
C1=CC=C(C(=C1)O)F
InChI
InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N
Compound name
2-fluorophenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

30
References

16118
Patents

112.03244 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.03972 115.5
[M+Na]+ 135.02166 124.8
[M-H]- 111.02516 117.2
[M+NH4]+ 130.06626 137.9
[M+K]+ 150.99560 122.9
[M+H-H2O]+ 95.029700 110.1
[M+HCOO]- 157.03064 138.8
[M+CH3COO]- 171.04629 165.4
[M+Na-2H]- 133.00711 123.8
[M]+ 112.03189 113.2
[M]- 112.03299 113.2
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