CID 11622329

Carbonic acid, fluoromethyl methyl ester

Structural Information

Molecular Formula
C3H5FO3
SMILES
COC(=O)OCF
InChI
InChI=1S/C3H5FO3/c1-6-3(5)7-2-4/h2H2,1H3
InChIKey
PIQRQRGUYXRTJJ-UHFFFAOYSA-N
Compound name
fluoromethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2676
Patents

108.02227 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.02955 114.9
[M+Na]+ 131.01149 123.6
[M-H]- 107.01499 114.5
[M+NH4]+ 126.05609 138.0
[M+K]+ 146.98543 125.1
[M+H-H2O]+ 91.019530 110.0
[M+HCOO]- 153.02047 138.7
[M+CH3COO]- 167.03612 165.3
[M+Na-2H]- 128.99694 121.9
[M]+ 108.02172 116.8
[M]- 108.02282 116.8
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