CID 71756808

Ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate

Structural Information

Molecular Formula
C9H12F2O3
SMILES
CCOC(=O)C(C1CCC(=O)C1)(F)F
InChI
InChI=1S/C9H12F2O3/c1-2-14-8(13)9(10,11)6-3-4-7(12)5-6/h6H,2-5H2,1H3
InChIKey
RFZZLLYZIMHVAC-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(3-oxocyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.07545 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08273 141.6
[M+Na]+ 229.06467 148.5
[M-H]- 205.06817 142.3
[M+NH4]+ 224.10927 162.2
[M+K]+ 245.03861 147.6
[M+H-H2O]+ 189.07271 135.3
[M+HCOO]- 251.07365 160.3
[M+CH3COO]- 265.08930 183.5
[M+Na-2H]- 227.05012 143.5
[M]+ 206.07490 139.0
[M]- 206.07600 139.0
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