CID 14189360

Methyl pentafluorophenyl carbonate

Structural Information

Molecular Formula

C₈H₃F₅O₃

SMILES

COC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C8H3F5O3/c1-15-8(14)16-7-5(12)3(10)2(9)4(11)6(7)13/h1H3

InChIKey

HGYOVHMDBHQLOE-UHFFFAOYSA-N

Compound name

methyl (2,3,4,5,6-pentafluorophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 242.00023 Da
Monoisotopic Mass: 2.6
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]+	243.00751	138.3
[M+Na]+	264.98945	151.0
[M-H]-	240.99295	137.1
[M+NH4]+	260.03405	156.8
[M+K]+	280.96339	148.8
[M+H-H2O]+	224.99749	128.9
[M+HCOO]-	286.99843	157.7
[M+CH3COO]-	301.01408	193.0
[M+Na-2H]-	262.97490	139.5
[M]+	241.99968	136.6
[M]-	242.00078	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe