CID 581766

2-fluorobenzene-1,4-diol

Structural Information

Molecular Formula
C6H5FO2
SMILES
C1=CC(=C(C=C1O)F)O
InChI
InChI=1S/C6H5FO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey
GIMXWZYFIFOCBJ-UHFFFAOYSA-N
Compound name
2-fluorobenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

342
Patents

128.02736 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe