CID 12583891

1,1,1,2-tetrafluoropropane (fc-254eb)

Structural Information

Molecular Formula

C₃H₄F₄

SMILES

CC(C(F)(F)F)F

InChI

InChI=1S/C3H4F4/c1-2(4)3(5,6)7/h2H,1H3

InChIKey

INEMUVRCEAELBK-UHFFFAOYSA-N

Compound name

1,1,1,2-tetrafluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4385
Patents: 116.02491 Da
Monoisotopic Mass: 2.1
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]+	117.03219	114.4
[M+Na]+	139.01413	123.3
[M-H]-	115.01763	110.1
[M+NH4]+	134.05873	137.0
[M+K]+	154.98807	123.2
[M+H-H2O]+	99.022170	107.7
[M+HCOO]-	161.02311	132.4
[M+CH3COO]-	175.03876	170.1
[M+Na-2H]-	136.99958	120.2
[M]+	116.02436	108.2
[M]-	116.02546	108.2

Literature stripe

literature stripe

Patent stripe

patents stripe