CID 10004

3-fluoropropanoic acid

Structural Information

Molecular Formula
C3H5FO2
SMILES
C(CF)C(=O)O
InChI
InChI=1S/C3H5FO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChIKey
RPFXMKLCYJSYDE-UHFFFAOYSA-N
Compound name
3-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

504
Patents

92.02736 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.034636 112.7
[M+Na]+ 115.01658 120.8
[M-H]- 91.020084 110.8
[M+NH4]+ 110.06118 135.5
[M+K]+ 130.99052 120.9
[M+H-H2O]+ 75.024620 108.1
[M+HCOO]- 137.02556 134.6
[M+CH3COO]- 151.04121 161.9
[M+Na-2H]- 113.00203 119.1
[M]+ 92.026811 111.3
[M]- 92.027909 111.3
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