CID 94392

2,6-difluorophenol

Structural Information

Molecular Formula
C6H4F2O
SMILES
C1=CC(=C(C(=C1)F)O)F
InChI
InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
CKKOVFGIBXCEIJ-UHFFFAOYSA-N
Compound name
2,6-difluorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3089
Patents

130.02303 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03031 117.6
[M+Na]+ 153.01225 127.8
[M-H]- 129.01575 118.2
[M+NH4]+ 148.05685 139.5
[M+K]+ 168.98619 125.5
[M+H-H2O]+ 113.02029 111.4
[M+HCOO]- 175.02123 139.8
[M+CH3COO]- 189.03688 169.3
[M+Na-2H]- 150.99770 124.5
[M]+ 130.02248 114.4
[M]- 130.02358 114.4
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.