CID 91619486

108156-21-4

Structural Information

Molecular Formula

C₅H₂ClF₇O₂

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)Cl

InChI

InChI=1S/C5H2ClF7O2/c6-2(14)15-1-3(7,8)4(9,10)5(11,12)13/h1H2

InChIKey

BTGGZMZAVPCGMB-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluorobutyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 261.96317 Da
Monoisotopic Mass: 3.6
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]+	262.97045	138.4
[M+Na]+	284.95239	148.5
[M-H]-	260.95589	130.6
[M+NH4]+	279.99699	155.7
[M+K]+	300.92633	145.5
[M+H-H2O]+	244.96043	130.0
[M+HCOO]-	306.96137	145.9
[M+CH3COO]-	320.97702	191.8
[M+Na-2H]-	282.93784	143.1
[M]+	261.96262	131.8
[M]-	261.96372	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe