CID 9889

Fluoroacetone

Structural Information

Molecular Formula
C3H5FO
SMILES
CC(=O)CF
InChI
InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3
InChIKey
MSWVMWGCNZQPIA-UHFFFAOYSA-N
Compound name
1-fluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1481
Patents

76.03244 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.039716 108.6
[M+Na]+ 99.021658 117.2
[M-H]- 75.025164 108.2
[M+NH4]+ 94.066263 132.9
[M+K]+ 114.99560 117.8
[M+H-H2O]+ 59.029700 104.1
[M+HCOO]- 121.03064 131.8
[M+CH3COO]- 135.04629 162.8
[M+Na-2H]- 97.007106 115.7
[M]+ 76.031891 107.7
[M]- 76.032989 107.7
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