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

40
Patents

216.0598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.067076 143.1
[M+Na]+ 239.049018 149.8
[M-H]- 215.052524 143.7
[M+NH4]+ 234.093623 161.2
[M+K]+ 255.022958 148.7
[M+H-H2O]+ 199.057060 135.0
[M+HCOO]- 261.058001 164.1
[M+CH3COO]- 275.073651 186.0
[M+Na-2H]- 237.034466 147.0
[M]+ 216.05925142 143.3
[M]- 216.06034858 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