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]+ 231.046336 142.3
[M+Na]+ 253.028278 152.7
[M-H]- 229.031784 146.3
[M+NH4]+ 248.072883 162.8
[M+K]+ 269.002218 153.2
[M+H-H2O]+ 213.036320 136.4
[M+HCOO]- 275.037261 161.9
[M+CH3COO]- 289.052911 187.1
[M+Na-2H]- 251.013726 149.2
[M]+ 230.03851142 145.2
[M]- 230.03960858 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.