CID 55297957

20411-83-0

Structural Information

Molecular Formula

C₃H₃ClF₄O

SMILES

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

InChI

InChI=1S/C3H3ClF4O/c4-3(7,8)2(5,6)1-9/h9H,1H2

InChIKey

SSNVJNPCIZQFBV-UHFFFAOYSA-N

Compound name

3-chloro-2,2,3,3-tetrafluoropropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.98085 Da
Monoisotopic Mass: 1.5
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]+	166.988126	121.8
[M+Na]+	188.970068	131.6
[M-H]-	164.973574	116.2
[M+NH4]+	184.014673	142.5
[M+K]+	204.944008	128.6
[M+H-H2O]+	148.978110	116.3
[M+HCOO]-	210.979051	133.5
[M+CH3COO]-	224.994701	173.4
[M+Na-2H]-	186.955516	128.7
[M]+	165.98030142	117.2
[M]-	165.98139858	117.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe