CID 67270747

Benzyl 2-(difluoromethoxy)acetate

Structural Information

Molecular Formula
C10H10F2O3
SMILES
C1=CC=C(C=C1)COC(=O)COC(F)F
InChI
InChI=1S/C10H10F2O3/c11-10(12)15-7-9(13)14-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
RYKKJPDBCIAJIB-UHFFFAOYSA-N
Compound name
benzyl 2-(difluoromethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

216.0598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06708 143.1
[M+Na]+ 239.04902 149.8
[M-H]- 215.05252 143.7
[M+NH4]+ 234.09362 161.2
[M+K]+ 255.02296 148.7
[M+H-H2O]+ 199.05706 135.0
[M+HCOO]- 261.05800 164.1
[M+CH3COO]- 275.07365 186.0
[M+Na-2H]- 237.03447 147.0
[M]+ 216.05925 143.3
[M]- 216.06035 143.3
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