CID 137951945

(6,6-difluorooxepan-2-yl)methanol

Structural Information

Molecular Formula

C₇H₁₂F₂O₂

SMILES

C1CC(OCC(C1)(F)F)CO

InChI

InChI=1S/C7H12F2O2/c8-7(9)3-1-2-6(4-10)11-5-7/h6,10H,1-5H2

InChIKey

QMTFANGWJZZIOM-UHFFFAOYSA-N

Compound name

(6,6-difluorooxepan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.08054 Da
Monoisotopic Mass: 1.0
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]+	167.08782	128.6
[M+Na]+	189.06976	135.7
[M+NH4]+	184.11436	136.0
[M+K]+	205.04370	131.4
[M-H]-	165.07326	127.9
[M+Na-2H]-	187.05521	133.1
[M]+	166.07999	129.3
[M]-	166.08109	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.