CID 9898

2-fluorobutanoic acid

Structural Information

Molecular Formula
C4H7FO2
SMILES
CCC(C(=O)O)F
InChI
InChI=1S/C4H7FO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey
GCSPSGQVZXMPKU-UHFFFAOYSA-N
Compound name
2-fluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

285
Patents

106.04301 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05029 119.5
[M+Na]+ 129.03223 128.4
[M+NH4]+ 124.07683 126.4
[M+K]+ 145.00617 124.8
[M-H]- 105.03573 116.5
[M+Na-2H]- 127.01768 122.0
[M]+ 106.04246 119.5
[M]- 106.04356 119.5
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

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