CID 67764

3-fluorocatechol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

12
References

1049
Patents

128.02736 Da
Monoisotopic Mass

1.6
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