CID 589439

3,6-difluoro-2-methoxyphenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
COC1=C(C=CC(=C1O)F)F
InChI
InChI=1S/C7H6F2O2/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3,10H,1H3
InChIKey
NMQMZOBMVSWMST-UHFFFAOYSA-N
Compound name
3,6-difluoro-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

160.03358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.040856 125.0
[M+Na]+ 183.022798 135.7
[M-H]- 159.026304 125.9
[M+NH4]+ 178.067403 145.9
[M+K]+ 198.996738 133.7
[M+H-H2O]+ 143.030840 118.6
[M+HCOO]- 205.031781 147.1
[M+CH3COO]- 219.047431 175.6
[M+Na-2H]- 181.008246 130.7
[M]+ 160.03303142 124.1
[M]- 160.03412858 124.1
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

patents stripe