CID 65987281

1-(3,4-difluorophenyl)-2,2-dimethoxyethan-1-ol

Structural Information

Molecular Formula
C10H12F2O3
SMILES
COC(C(C1=CC(=C(C=C1)F)F)O)OC
InChI
InChI=1S/C10H12F2O3/c1-14-10(15-2)9(13)6-3-4-7(11)8(12)5-6/h3-5,9-10,13H,1-2H3
InChIKey
GAUYJXCDJWWILB-UHFFFAOYSA-N
Compound name
1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07545 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08273 143.3
[M+Na]+ 241.06467 151.2
[M-H]- 217.06817 143.3
[M+NH4]+ 236.10927 161.3
[M+K]+ 257.03861 149.8
[M+H-H2O]+ 201.07271 135.9
[M+HCOO]- 263.07365 162.6
[M+CH3COO]- 277.08930 187.3
[M+Na-2H]- 239.05012 145.4
[M]+ 218.07490 143.2
[M]- 218.07600 143.2
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

No patent data available for this compound.