CID 91619930

1227807-93-3

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

C1CC(=O)CCC(C1)(F)F

InChI

InChI=1S/C7H10F2O/c8-7(9)4-1-2-6(10)3-5-7/h1-5H2

InChIKey

RKIWUWZJHFDJCC-UHFFFAOYSA-N

Compound name

4,4-difluorocycloheptan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 148.06998 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.077256	118.6
[M+Na]+	171.059198	123.8
[M-H]-	147.062704	120.6
[M+NH4]+	166.103803	140.1
[M+K]+	187.033138	126.3
[M+H-H2O]+	131.067240	113.3
[M+HCOO]-	193.068181	137.1
[M+CH3COO]-	207.083831	176.0
[M+Na-2H]-	169.044646	124.3
[M]+	148.06943142	109.6
[M]-	148.07052858	109.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe