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
2
Annotation Hits

0
References

2802
Patents

108.02227 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.029546 114.9
[M+Na]+ 131.011488 123.6
[M-H]- 107.014994 114.5
[M+NH4]+ 126.056093 138.0
[M+K]+ 146.985428 125.1
[M+H-H2O]+ 91.019530 110.0
[M+HCOO]- 153.020471 138.7
[M+CH3COO]- 167.036121 165.3
[M+Na-2H]- 128.996936 121.9
[M]+ 108.02172142 116.8
[M]- 108.02281858 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