CID 118327157

Schembl17029344

Structural Information

Molecular Formula

C₃H₄F₄O₂

SMILES

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

InChI

InChI=1S/C3H4F4O2/c4-2(9,1-8)3(5,6)7/h8-9H,1H2

InChIKey

SUHSDXYIQYZENU-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoropropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 148.01474 Da
Monoisotopic Mass: 0.2
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]+	149.02202	121.8
[M+Na]+	171.00396	130.4
[M-H]-	147.00746	114.8
[M+NH4]+	166.04856	141.7
[M+K]+	186.97790	129.2
[M+H-H2O]+	131.01200	115.6
[M+HCOO]-	193.01294	136.7
[M+CH3COO]-	207.02859	168.1
[M+Na-2H]-	168.98941	128.5
[M]+	148.01419	114.8
[M]-	148.01529	114.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe