CID 15594782

2-fluorobut-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

56
Patents

104.02736 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.034636 116.2
[M+Na]+ 127.016578 124.1
[M-H]- 103.020084 114.2
[M+NH4]+ 122.061183 138.5
[M+K]+ 142.990518 123.7
[M+H-H2O]+ 87.024620 111.6
[M+HCOO]- 149.025561 137.0
[M+CH3COO]- 163.041211 164.2
[M+Na-2H]- 125.002026 120.8
[M]+ 104.02681142 113.7
[M]- 104.02790858 113.7
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