CID 67901

Trifluoroacetaldehyde hydrate

Structural Information

Molecular Formula

C₂H₃F₃O₂

SMILES

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

InChI

InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

VGJWVEYTYIBXIA-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 24
References: 863
Patents: 116.008514 Da
Monoisotopic Mass: 0.0
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]+	117.01579	114.9
[M+Na]+	138.99773	123.2
[M-H]-	115.00124	109.2
[M+NH4]+	134.04234	136.0
[M+K]+	154.97167	122.7
[M+H-H2O]+	99.005774	109.3
[M+HCOO]-	161.00672	131.7
[M+CH3COO]-	175.02236	162.5
[M+Na-2H]-	136.98318	120.7
[M]+	116.00797	108.7
[M]-	116.00906	108.7

Literature stripe

literature stripe

Patent stripe

patents stripe