CID 132398552

2166779-81-1

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

C1CC2(C1)C(C2(F)F)CO

InChI

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

InChIKey

XEGCZBLOXHMPGL-UHFFFAOYSA-N

Compound name

(2,2-difluorospiro[2.3]hexan-1-yl)methanol

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	125.8
[M+Na]+	171.05920	135.5
[M-H]-	147.06270	129.7
[M+NH4]+	166.10380	140.0
[M+K]+	187.03314	136.6
[M+H-H2O]+	131.06724	117.3
[M+HCOO]-	193.06818	144.0
[M+CH3COO]-	207.08383	179.4
[M+Na-2H]-	169.04465	133.1
[M]+	148.06943	133.4
[M]-	148.07053	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe