CID 55275768

3-ethoxy-2,6-difluorophenol

Structural Information

Molecular Formula
C8H8F2O2
SMILES
CCOC1=C(C(=C(C=C1)F)O)F
InChI
InChI=1S/C8H8F2O2/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4,11H,2H2,1H3
InChIKey
MGBIYPQQWRPKLL-UHFFFAOYSA-N
Compound name
3-ethoxy-2,6-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

174.04924 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.056516 129.8
[M+Na]+ 197.038458 140.1
[M-H]- 173.041964 130.4
[M+NH4]+ 192.083063 150.1
[M+K]+ 213.012398 137.8
[M+H-H2O]+ 157.046500 123.2
[M+HCOO]- 219.047441 151.5
[M+CH3COO]- 233.063091 178.6
[M+Na-2H]- 195.023906 134.9
[M]+ 174.04869142 129.2
[M]- 174.04978858 129.2
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