CID 162919

60644-92-0

Structural Information

Molecular Formula

C₅Cl₂F₈O₂

SMILES

C1(C(OC(O1)(C(F)(F)F)C(F)(F)F)(F)Cl)(F)Cl

InChI

InChI=1S/C5Cl2F8O2/c6-2(8)3(7,9)17-1(16-2,4(10,11)12)5(13,14)15

InChIKey

PQTSJAIWJYMBOX-UHFFFAOYSA-N

Compound name

4,5-dichloro-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 41
Patents: 313.91476 Da
Monoisotopic Mass: 3.9
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]+	314.92204	135.4
[M+Na]+	336.90398	149.0
[M-H]-	312.90748	131.3
[M+NH4]+	331.94858	156.2
[M+K]+	352.87792	146.2
[M+H-H2O]+	296.91202	130.1
[M+HCOO]-	358.91296	137.4
[M+CH3COO]-	372.92861	196.6
[M+Na-2H]-	334.88943	143.5
[M]+	313.91421	129.6
[M]-	313.91531	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe