CID 2737111

Dimethyl fluoromalonate

Structural Information

Molecular Formula
C5H7FO4
SMILES
COC(=O)C(C(=O)OC)F
InChI
InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChIKey
ZVXHZSXYHFBIEW-UHFFFAOYSA-N
Compound name
dimethyl 2-fluoropropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

473
Patents

150.03284 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04012 125.6
[M+Na]+ 173.02206 133.3
[M-H]- 149.02556 125.0
[M+NH4]+ 168.06666 146.7
[M+K]+ 188.99600 135.0
[M+H-H2O]+ 133.03010 120.3
[M+HCOO]- 195.03104 147.2
[M+CH3COO]- 209.04669 174.3
[M+Na-2H]- 171.00751 129.1
[M]+ 150.03229 127.7
[M]- 150.03339 127.7
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