CID 71425830

919005-54-2

Structural Information

Molecular Formula

C₆HF₁₁O₃

SMILES

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

InChI

InChI=1S/C6HF11O3/c7-2(8,1(18)19)3(9,10)5(14,15)20-6(16,17)4(11,12)13/h(H,18,19)

InChIKey

YUBDPGKNGXILBQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 329.975 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]+	330.982276	154.2
[M+Na]+	352.964218	163.4
[M-H]-	328.967724	140.8
[M+NH4]+	348.008823	166.4
[M+K]+	368.938158	161.5
[M+H-H2O]+	312.972260	142.6
[M+HCOO]-	374.973201	157.0
[M+CH3COO]-	388.988851	204.4
[M+Na-2H]-	350.949666	158.1
[M]+	329.97445142	138.2
[M]-	329.97554858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe