CID 9892

Trifluoroacetaldehyde methyl hemiacetal

Structural Information

Molecular Formula

C₃H₅F₃O₂

SMILES

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

InChI

InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3

InChIKey

GWTBCUWZAVMAQV-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-methoxyethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 475
Patents: 130.02417 Da
Monoisotopic Mass: 0.7
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]+	131.03145	118.9
[M+Na]+	153.01339	127.3
[M-H]-	129.01689	114.4
[M+NH4]+	148.05799	140.3
[M+K]+	168.98733	127.5
[M+H-H2O]+	113.02143	112.9
[M+HCOO]-	175.02237	136.9
[M+CH3COO]-	189.03802	168.2
[M+Na-2H]-	150.99884	124.7
[M]+	130.02362	115.0
[M]-	130.02472	115.0

Literature stripe

literature stripe

Patent stripe

patents stripe