CID 2773796

113402-77-0

Structural Information

Molecular Formula

C₃H₃ClF₃I

SMILES

C(C(C(F)(F)F)I)Cl

InChI

InChI=1S/C3H3ClF3I/c4-1-2(8)3(5,6)7/h2H,1H2

InChIKey

VTXHEMNTBOVTHP-UHFFFAOYSA-N

Compound name

3-chloro-1,1,1-trifluoro-2-iodopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.892 Da
Monoisotopic Mass: 2.9
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]+	258.89928	126.3
[M+Na]+	280.88122	128.7
[M-H]-	256.88472	116.8
[M+NH4]+	275.92582	143.5
[M+K]+	296.85516	132.1
[M+H-H2O]+	240.88926	117.7
[M+HCOO]-	302.89020	136.3
[M+CH3COO]-	316.90585	182.8
[M+Na-2H]-	278.86667	120.1
[M]+	257.89145	121.3
[M]-	257.89255	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe