CID 16770182

[2-(difluoromethoxy)-3-ethoxyphenyl]methanol

Structural Information

Molecular Formula
C10H12F2O3
SMILES
CCOC1=CC=CC(=C1OC(F)F)CO
InChI
InChI=1S/C10H12F2O3/c1-2-14-8-5-3-4-7(6-13)9(8)15-10(11)12/h3-5,10,13H,2,6H2,1H3
InChIKey
PRYSMGKHDBSOIH-UHFFFAOYSA-N
Compound name
[2-(difluoromethoxy)-3-ethoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07545 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08273 143.2
[M+Na]+ 241.06467 151.3
[M-H]- 217.06817 143.1
[M+NH4]+ 236.10927 161.3
[M+K]+ 257.03861 149.5
[M+H-H2O]+ 201.07271 135.7
[M+HCOO]- 263.07365 163.5
[M+CH3COO]- 277.08930 186.4
[M+Na-2H]- 239.05012 146.6
[M]+ 218.07490 143.8
[M]- 218.07600 143.8
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.