CID 135392735

2028236-10-2

Structural Information

Molecular Formula

C₉H₁₄F₂O

SMILES

C1CC(CCC12CC2CO)(F)F

InChI

InChI=1S/C9H14F2O/c10-9(11)3-1-8(2-4-9)5-7(8)6-12/h7,12H,1-6H2

InChIKey

QLSTVMUKZLCUSX-UHFFFAOYSA-N

Compound name

(6,6-difluorospiro[2.5]octan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.10127 Da
Monoisotopic Mass: 1.9
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]+	177.10855	134.8
[M+Na]+	199.09049	143.7
[M-H]-	175.09399	137.6
[M+NH4]+	194.13509	153.6
[M+K]+	215.06443	142.0
[M+H-H2O]+	159.09853	129.1
[M+HCOO]-	221.09947	151.3
[M+CH3COO]-	235.11512	180.1
[M+Na-2H]-	197.07594	140.9
[M]+	176.10072	131.1
[M]-	176.10182	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe