CID 3020930

85720-83-8

Structural Information

Molecular Formula

C₄Cl₂F₇IO

SMILES

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

InChI

InChI=1S/C4Cl2F7IO/c5-1(7,8)2(6,9)15-4(12,13)3(10,11)14

InChIKey

MAWWERMLNIJXTR-UHFFFAOYSA-N

Compound name

1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoro-2-iodoethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 393.8259 Da
Monoisotopic Mass: 4.6
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]+	394.833176	145.3
[M+Na]+	416.815118	149.3
[M-H]-	392.818624	131.8
[M+NH4]+	411.859723	157.5
[M+K]+	432.789058	150.3
[M+H-H2O]+	376.823160	134.7
[M+HCOO]-	438.824101	143.7
[M+CH3COO]-	452.839751	203.9
[M+Na-2H]-	414.800566	140.3
[M]+	393.82535142	137.2
[M]-	393.82644858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe