CID 9959

Methyl fluoroacetate

Structural Information

Molecular Formula
C3H5FO2
SMILES
COC(=O)CF
InChI
InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3
InChIKey
RJBYSQHLLIHSLT-UHFFFAOYSA-N
Compound name
methyl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

871
Patents

92.02736 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.034636 111.9
[M+Na]+ 115.01658 120.5
[M-H]- 91.020084 111.4
[M+NH4]+ 110.06118 135.6
[M+K]+ 130.99052 121.6
[M+H-H2O]+ 75.024620 107.1
[M+HCOO]- 137.02556 135.4
[M+CH3COO]- 151.04121 164.0
[M+Na-2H]- 113.00203 118.9
[M]+ 92.026811 112.3
[M]- 92.027909 112.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe