CID 6434807

37759-72-1

Structural Information

Molecular Formula
C4H5FO2
SMILES
C(/C=C/C(=O)O)F
InChI
InChI=1S/C4H5FO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
InChIKey
VLPAEVHYNQOJRT-OWOJBTEDSA-N
Compound name
(E)-4-fluorobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

236
Patents

104.02736 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03464 116.0
[M+Na]+ 127.01658 124.1
[M-H]- 103.02008 114.0
[M+NH4]+ 122.06118 138.4
[M+K]+ 142.99052 123.3
[M+H-H2O]+ 87.024620 111.4
[M+HCOO]- 149.02556 137.8
[M+CH3COO]- 163.04121 163.4
[M+Na-2H]- 125.00203 121.9
[M]+ 104.02681 114.2
[M]- 104.02791 114.2
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