CID 2775067

103229-89-6

Structural Information

Molecular Formula

SMILES

C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)(\C(=O)O)/F

InChI

InChI=1S/C6HF9O2/c7-1(3(16)17)2(8)4(9,5(10,11)12)6(13,14)15/h(H,16,17)/b2-1+

InChIKey

TWDHAMRDYDLSPH-OWOJBTEDSA-N

Compound name

(E)-2,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pent-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 275.98328 Da
Monoisotopic Mass: 2.7
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]+	276.99056	180.9
[M+Na]+	298.97250	181.3
[M+NH4]+	294.01710	179.9
[M+K]+	314.94644	179.4
[M-H]-	274.97600	172.1
[M+Na-2H]-	296.95795	177.3
[M]+	275.98273	178.0
[M]-	275.98383	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe