CID 20614512

1-(3,3-difluoro-1-methylcyclobutyl)ethan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
CC(=O)C1(CC(C1)(F)F)C
InChI
InChI=1S/C7H10F2O/c1-5(10)6(2)3-7(8,9)4-6/h3-4H2,1-2H3
InChIKey
VECXOGNAZXWPAX-UHFFFAOYSA-N
Compound name
1-(3,3-difluoro-1-methylcyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07726 128.4
[M+Na]+ 171.05920 136.4
[M-H]- 147.06270 130.4
[M+NH4]+ 166.10380 147.3
[M+K]+ 187.03314 138.4
[M+H-H2O]+ 131.06724 120.0
[M+HCOO]- 193.06818 147.5
[M+CH3COO]- 207.08383 179.6
[M+Na-2H]- 169.04465 133.8
[M]+ 148.06943 134.5
[M]- 148.07053 134.5
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.