CID 189034

15989-99-8

Structural Information

Molecular Formula

C₁₄F₁₀O₃

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)OC(=O)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C14F10O3/c15-3-1(4(16)8(20)11(23)7(3)19)13(25)27-14(26)2-5(17)9(21)12(24)10(22)6(2)18

InChIKey

BGCIWPHADHBSOS-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentafluorobenzoyl) 2,3,4,5,6-pentafluorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 537
Patents: 405.96878 Da
Monoisotopic Mass: 4.2
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]+	406.97606	190.7
[M+Na]+	428.95800	193.0
[M+NH4]+	424.00260	189.9
[M+K]+	444.93194	189.9
[M-H]-	404.96150	185.0
[M+Na-2H]-	426.94345	188.5
[M]+	405.96823	189.0
[M]-	405.96933	189.0

Literature stripe

literature stripe

Patent stripe

patents stripe