CID 58564885

1408076-35-6

Structural Information

Molecular Formula

C₆H₁₀F₂O

SMILES

CC1(CC(C1)(F)F)CO

InChI

InChI=1S/C6H10F2O/c1-5(4-9)2-6(7,8)3-5/h9H,2-4H2,1H3

InChIKey

CJAWZBDZCFSXMU-UHFFFAOYSA-N

Compound name

(3,3-difluoro-1-methylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 136.06998 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]+	137.077256	125.3
[M+Na]+	159.059198	133.4
[M-H]-	135.062704	126.1
[M+NH4]+	154.103803	144.2
[M+K]+	175.033138	134.8
[M+H-H2O]+	119.067240	117.2
[M+HCOO]-	181.068181	144.2
[M+CH3COO]-	195.083831	174.1
[M+Na-2H]-	157.044646	132.0
[M]+	136.06943142	130.7
[M]-	136.07052858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe