CID 9743

3-fluorophenol

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

26
References

9768
Patents

112.03244 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.039716 115.5
[M+Na]+ 135.021658 124.8
[M-H]- 111.025164 117.2
[M+NH4]+ 130.066263 137.9
[M+K]+ 150.995598 122.9
[M+H-H2O]+ 95.029700 110.1
[M+HCOO]- 157.030641 138.8
[M+CH3COO]- 171.046291 165.4
[M+Na-2H]- 133.007106 123.8
[M]+ 112.03189142 113.2
[M]- 112.03298858 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