CID 13951927

1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)-3-iodo-propane

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C4F9I/c5-1(2(6,7)8,3(9,10)11)4(12,13)14

InChIKey

YXIILCMWJHESKN-UHFFFAOYSA-N

Compound name

2-[difluoro(iodo)methyl]-1,1,1,2,3,3,3-heptafluoropropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 345.8901 Da
Monoisotopic Mass: 4.1
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]+	346.89738	142.8
[M+Na]+	368.87932	146.0
[M-H]-	344.88282	127.2
[M+NH4]+	363.92392	155.4
[M+K]+	384.85326	149.6
[M+H-H2O]+	328.88736	129.6
[M+HCOO]-	390.88830	147.2
[M+CH3COO]-	404.90395	199.0
[M+Na-2H]-	366.86477	136.8
[M]+	345.88955	127.3
[M]-	345.89065	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe