CID 146082075

2408974-56-9

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

C1C(CC12CC(C2)(F)F)O

InChI

InChI=1S/C7H10F2O/c8-7(9)3-6(4-7)1-5(10)2-6/h5,10H,1-4H2

InChIKey

LARCYNYLLSYYSB-UHFFFAOYSA-N

Compound name

2,2-difluorospiro[3.3]heptan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	149.07726	124.4
[M+Na]+	171.05920	131.0
[M-H]-	147.06270	127.4
[M+NH4]+	166.10380	136.0
[M+K]+	187.03314	134.1
[M+H-H2O]+	131.06724	112.7
[M+HCOO]-	193.06818	140.5
[M+CH3COO]-	207.08383	185.5
[M+Na-2H]-	169.04465	130.6
[M]+	148.06943	136.3
[M]-	148.07053	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe