CID 69576

Methyl(3,3,3-trifluoropropyl)silanediol

Structural Information

Molecular Formula

C₄H₉F₃O₂Si

SMILES

C[Si](CCC(F)(F)F)(O)O

InChI

InChI=1S/C4H9F3O2Si/c1-10(8,9)3-2-4(5,6)7/h8-9H,2-3H2,1H3

InChIKey

HSYLDXYMZWLBLF-UHFFFAOYSA-N

Compound name

dihydroxy-methyl-(3,3,3-trifluoropropyl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 174.0324 Da
Monoisotopic Mass: None
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]+	175.03968	130.7
[M+Na]+	197.02162	138.5
[M-H]-	173.02512	124.6
[M+NH4]+	192.06622	150.3
[M+K]+	212.99556	137.1
[M+H-H2O]+	157.02966	125.0
[M+HCOO]-	219.03060	145.9
[M+CH3COO]-	233.04625	171.4
[M+Na-2H]-	195.00707	136.8
[M]+	174.03185	125.7
[M]-	174.03295	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe