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 112.7
[M+Na]+ 125.03731 120.0
[M-H]- 101.04082 115.4
[M+NH4]+ 120.08192 129.6
[M+K]+ 141.01125 122.5
[M+H-H2O]+ 85.045356 102.9
[M+HCOO]- 147.04630 134.6
[M+CH3COO]- 161.06195 170.9
[M+Na-2H]- 123.02276 119.2
[M]+ 102.04755 119.4
[M]- 102.04864 119.4
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