CID 10678246

2-fluorobenzene-1,3-diol

Structural Information

Molecular Formula
C6H5FO2
SMILES
C1=CC(=C(C(=C1)O)F)O
InChI
InChI=1S/C6H5FO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChIKey
AGQVUPRGSFUGMJ-UHFFFAOYSA-N
Compound name
2-fluorobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

186
Patents

128.02736 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03464 121.2
[M+Na]+ 151.01658 133.5
[M+NH4]+ 146.06118 129.3
[M+K]+ 166.99052 128.3
[M-H]- 127.02008 121.2
[M+Na-2H]- 149.00203 127.5
[M]+ 128.02681 122.8
[M]- 128.02791 122.8
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