CID 89018413

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

Structural Information

Molecular Formula
C7H10F2O
SMILES
CCC(=O)C1CC(C1)(F)F
InChI
InChI=1S/C7H10F2O/c1-2-6(10)5-3-7(8,9)4-5/h5H,2-4H2,1H3
InChIKey
BBFJYNGQJZVPQS-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclobutyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

148.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 128.2
[M+Na]+ 171.05920 135.3
[M-H]- 147.06270 129.7
[M+NH4]+ 166.10380 145.1
[M+K]+ 187.03314 137.2
[M+H-H2O]+ 131.06724 118.3
[M+HCOO]- 193.06818 147.3
[M+CH3COO]- 207.08383 179.8
[M+Na-2H]- 169.04465 132.5
[M]+ 148.06943 134.0
[M]- 148.07053 134.0
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