CID 256876

2-fluoropropionic acid

Structural Information

Molecular Formula
C3H5FO2
SMILES
CC(C(=O)O)F
InChI
InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey
ZVZPFTCEXIGSHM-UHFFFAOYSA-N
Compound name
2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

817
Patents

92.02736 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.034636 112.9
[M+Na]+ 115.01658 120.8
[M-H]- 91.020084 111.0
[M+NH4]+ 110.06118 135.7
[M+K]+ 130.99052 121.3
[M+H-H2O]+ 75.024620 108.4
[M+HCOO]- 137.02556 133.8
[M+CH3COO]- 151.04121 162.8
[M+Na-2H]- 113.00203 118.0
[M]+ 92.026811 110.8
[M]- 92.027909 110.8
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