CID 102452

625-17-2

Structural Information

Molecular Formula

C₈H₁₈FO₃P

SMILES

CCC(C)OP(=O)(OC(C)CC)F

InChI

InChI=1S/C8H18FO3P/c1-5-7(3)11-13(9,10)12-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

JZZAQBZVRYPEAM-UHFFFAOYSA-N

Compound name

2-[butan-2-yloxy(fluoro)phosphoryl]oxybutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.09776 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]+	213.10504	150.2
[M+Na]+	235.08698	156.5
[M-H]-	211.09048	147.9
[M+NH4]+	230.13158	169.7
[M+K]+	251.06092	157.2
[M+H-H2O]+	195.09502	142.5
[M+HCOO]-	257.09596	174.9
[M+CH3COO]-	271.11161	190.0
[M+Na-2H]-	233.07243	150.4
[M]+	212.09721	154.7
[M]-	212.09831	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe