CID 11632

593-23-7

Structural Information

Molecular Formula

C₈H₁₆F₂O

SMILES

C(CCF)COCCCCF

InChI

InChI=1S/C8H16F2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2

InChIKey

BYTYDSUKTOLPQA-UHFFFAOYSA-N

Compound name

1-fluoro-4-(4-fluorobutoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 166.11693 Da
Monoisotopic Mass: 2.2
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]+	167.12421	135.8
[M+Na]+	189.10615	142.2
[M-H]-	165.10965	132.9
[M+NH4]+	184.15075	156.5
[M+K]+	205.08009	141.2
[M+H-H2O]+	149.11419	129.1
[M+HCOO]-	211.11513	157.1
[M+CH3COO]-	225.13078	180.9
[M+Na-2H]-	187.09160	140.7
[M]+	166.11638	136.9
[M]-	166.11748	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe