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

1204
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 119.0
[M+Na]+ 151.01658 128.8
[M-H]- 127.02008 119.7
[M+NH4]+ 146.06118 140.3
[M+K]+ 166.99052 126.4
[M+H-H2O]+ 111.02462 113.9
[M+HCOO]- 173.02556 141.0
[M+CH3COO]- 187.04121 166.0
[M+Na-2H]- 149.00203 126.0
[M]+ 128.02681 116.6
[M]- 128.02791 116.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.