CID 108404

Einecs 261-970-0

Structural Information

Molecular Formula

C₄H₅F₅O₂

SMILES

COC(C(C(F)(F)F)(F)F)O

InChI

InChI=1S/C4H5F5O2/c1-11-2(10)3(5,6)4(7,8)9/h2,10H,1H3

InChIKey

FHGKXFQZUUSHPB-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoro-1-methoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 180.02097 Da
Monoisotopic Mass: 1.3
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]+	181.02825	128.1
[M+Na]+	203.01019	136.6
[M-H]-	179.01369	121.1
[M+NH4]+	198.05479	147.3
[M+K]+	218.98413	136.1
[M+H-H2O]+	163.01823	120.6
[M+HCOO]-	225.01917	142.1
[M+CH3COO]-	239.03482	177.6
[M+Na-2H]-	200.99564	133.1
[M]+	180.02042	121.4
[M]-	180.02152	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe