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]+ 183.06160 130.1
[M+Na]+ 205.04354 138.8
[M-H]- 181.04704 134.9
[M+NH4]+ 200.08814 144.1
[M+K]+ 221.01748 138.8
[M+H-H2O]+ 165.05158 118.0
[M+HCOO]- 227.05252 151.0
[M+CH3COO]- 241.06817 185.8
[M+Na-2H]- 203.02899 134.5
[M]+ 182.05377 135.9
[M]- 182.05487 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.