CID 123051

2,4-difluorophenol

Structural Information

Molecular Formula
C6H4F2O
SMILES
C1=CC(=C(C=C1F)F)O
InChI
InChI=1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
NVWVWEWVLBKPSM-UHFFFAOYSA-N
Compound name
2,4-difluorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4267
Patents

130.02303 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.030306 117.6
[M+Na]+ 153.012248 127.8
[M-H]- 129.015754 118.2
[M+NH4]+ 148.056853 139.5
[M+K]+ 168.986188 125.5
[M+H-H2O]+ 113.020290 111.4
[M+HCOO]- 175.021231 139.8
[M+CH3COO]- 189.036881 169.3
[M+Na-2H]- 150.997696 124.5
[M]+ 130.02248142 114.4
[M]- 130.02357858 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

literature stripe

Patent stripe

patents stripe