CID 15594782

2-fluoro-but-2-enoic acid

Structural Information

Molecular Formula
C4H5FO2
SMILES
C/C=C(/C(=O)O)\F
InChI
InChI=1S/C4H5FO2/c1-2-3(5)4(6)7/h2H,1H3,(H,6,7)/b3-2-
InChIKey
LWCDSJZGNUDNCO-IHWYPQMZSA-N
Compound name
(Z)-2-fluorobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

104.02736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03464 119.2
[M+Na]+ 127.01658 128.1
[M+NH4]+ 122.06118 125.8
[M+K]+ 142.99052 124.4
[M-H]- 103.02008 115.8
[M+Na-2H]- 125.00203 121.5
[M]+ 104.02681 119.0
[M]- 104.02791 119.0
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