CID 6434807

(e)-4-fluorobut-2-enoic acid

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

217
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 118.8
[M+Na]+ 127.01658 128.1
[M+NH4]+ 122.06118 125.5
[M+K]+ 142.99052 123.6
[M-H]- 103.02008 115.7
[M+Na-2H]- 125.00203 121.5
[M]+ 104.02681 118.8
[M]- 104.02791 118.8
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