CID 165980416

2866318-58-1

Structural Information

Molecular Formula

C₇H₁₀F₂O

SMILES

CC12CC(C1)(C2(F)F)CO

InChI

InChI=1S/C7H10F2O/c1-5-2-6(3-5,4-10)7(5,8)9/h10H,2-4H2,1H3

InChIKey

JGUQOOGZAMGHEV-UHFFFAOYSA-N

Compound name

(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.06998 Da
Monoisotopic Mass: 1.2
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	152.6
[M+Na]+	171.059198	158.9
[M-H]-	147.062704	154.2
[M+NH4]+	166.103803	161.3
[M+K]+	187.033138	162.7
[M+H-H2O]+	131.067240	141.5
[M+HCOO]-	193.068181	163.8
[M+CH3COO]-	207.083831	203.9
[M+Na-2H]-	169.044646	159.1
[M]+	148.06943142	175.5
[M]-	148.07052858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.