CID 58356078

1-(3,3-difluorocyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C6H8F2O
SMILES
CC(=O)C1CC(C1)(F)F
InChI
InChI=1S/C6H8F2O/c1-4(9)5-2-6(7,8)3-5/h5H,2-3H2,1H3
InChIKey
OUSRYRUBLFSMDC-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

134.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 123.4
[M+Na]+ 157.04354 130.9
[M-H]- 133.04704 125.1
[M+NH4]+ 152.08814 140.9
[M+K]+ 173.01748 133.1
[M+H-H2O]+ 117.05158 113.8
[M+HCOO]- 179.05252 142.9
[M+CH3COO]- 193.06817 176.9
[M+Na-2H]- 155.02899 128.3
[M]+ 134.05377 128.8
[M]- 134.05487 128.8
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