CID 72207649

1234616-03-5

Structural Information

Molecular Formula
C10H8F2O4
SMILES
COC(=O)CC1=C2C(=CC=C1)OC(O2)(F)F
InChI
InChI=1S/C10H8F2O4/c1-14-8(13)5-6-3-2-4-7-9(6)16-10(11,12)15-7/h2-4H,5H2,1H3
InChIKey
PJXUIUFDSJNXFZ-UHFFFAOYSA-N
Compound name
methyl 2-(2,2-difluoro-1,3-benzodioxol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04634 142.3
[M+Na]+ 253.02828 152.7
[M-H]- 229.03178 146.3
[M+NH4]+ 248.07288 162.8
[M+K]+ 269.00222 153.2
[M+H-H2O]+ 213.03632 136.4
[M+HCOO]- 275.03726 161.9
[M+CH3COO]- 289.05291 187.1
[M+Na-2H]- 251.01373 149.2
[M]+ 230.03851 145.2
[M]- 230.03961 145.2
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.