CID 72698594

3-(fluoromethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C5H7FO
SMILES
C1C(CC1=O)CF
InChI
InChI=1S/C5H7FO/c6-3-4-1-5(7)2-4/h4H,1-3H2
InChIKey
JFJKSGPEXHPCNC-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

102.048096 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05537 119.2
[M+Na]+ 125.03731 125.6
[M+NH4]+ 120.08192 123.8
[M+K]+ 141.01125 121.9
[M-H]- 101.04082 116.6
[M+Na-2H]- 123.02276 121.7
[M]+ 102.04755 118.0
[M]- 102.04864 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe