CID 518128

156631-37-7

Structural Information

Molecular Formula

C₈H₆F₆O₄

SMILES

C(C(F)(F)F)OC(=O)C=CC(=O)OCC(F)(F)F

InChI

InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2

InChIKey

KZTDZFZLDVZRCF-UHFFFAOYSA-N

Compound name

bis(2,2,2-trifluoroethyl) but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 314
Patents: 280.01703 Da
Monoisotopic Mass: 2.4
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]+	281.02431	150.1
[M+Na]+	303.00625	158.3
[M-H]-	279.00975	142.8
[M+NH4]+	298.05085	165.8
[M+K]+	318.98019	157.0
[M+H-H2O]+	263.01429	140.8
[M+HCOO]-	325.01523	163.4
[M+CH3COO]-	339.03088	194.3
[M+Na-2H]-	300.99170	152.2
[M]+	280.01648	145.3
[M]-	280.01758	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe