CID 3269728

2,3-difluoro-6-methoxyphenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
COC1=C(C(=C(C=C1)F)F)O
InChI
InChI=1S/C7H6F2O2/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,10H,1H3
InChIKey
HDQMXTCQIQIJFG-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

160.03358 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04086 131.0
[M+Na]+ 183.02280 142.7
[M+NH4]+ 178.06740 138.1
[M+K]+ 198.99674 137.1
[M-H]- 159.02630 129.8
[M+Na-2H]- 181.00825 136.2
[M]+ 160.03303 132.1
[M]- 160.03413 132.1
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