CID 160458

4-fluorocatechol

Structural Information

Molecular Formula
C6H5FO2
SMILES
C1=CC(=C(C=C1F)O)O
InChI
InChI=1S/C6H5FO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey
NFWGQJUHSAGJBE-UHFFFAOYSA-N
Compound name
4-fluorobenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

348
Patents

128.02736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.034636 119.0
[M+Na]+ 151.016578 128.8
[M-H]- 127.020084 119.7
[M+NH4]+ 146.061183 140.3
[M+K]+ 166.990518 126.4
[M+H-H2O]+ 111.024620 113.9
[M+HCOO]- 173.025561 141.0
[M+CH3COO]- 187.041211 166.0
[M+Na-2H]- 149.002026 126.0
[M]+ 128.02681142 116.6
[M]- 128.02790858 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