CID 79002261

3-(2,4-difluorophenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C10H8F2O
SMILES
C1C(CC1=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H8F2O/c11-7-1-2-9(10(12)5-7)6-3-8(13)4-6/h1-2,5-6H,3-4H2
InChIKey
QUKQHIXLSVHVJH-UHFFFAOYSA-N
Compound name
3-(2,4-difluorophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05432 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.061596 130.1
[M+Na]+ 205.043538 138.8
[M-H]- 181.047044 134.9
[M+NH4]+ 200.088143 144.1
[M+K]+ 221.017478 138.8
[M+H-H2O]+ 165.051580 118.0
[M+HCOO]- 227.052521 151.0
[M+CH3COO]- 241.068171 185.8
[M+Na-2H]- 203.028986 134.5
[M]+ 182.05377142 135.9
[M]- 182.05486858 135.9
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

No patent data available for this compound.