CID 2779068

(r)-4,4,4-trifluorobutane-1,3-diol

Structural Information

Molecular Formula

C₄H₇F₃O₂

SMILES

C(CO)[C@H](C(F)(F)F)O

InChI

InChI=1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m1/s1

InChIKey

SCLIIHMYYAHRGK-GSVOUGTGSA-N

Compound name

(3R)-4,4,4-trifluorobutane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 83
Patents: 144.03981 Da
Monoisotopic Mass: 0.4
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]+	145.04709	131.8
[M+Na]+	167.02903	137.9
[M+NH4]+	162.07363	136.4
[M+K]+	183.00297	135.0
[M-H]-	143.03253	125.2
[M+Na-2H]-	165.01448	132.3
[M]+	144.03926	130.2
[M]-	144.04036	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe