CID 10943112

Oxirane, 2-(chlorodifluoromethyl)-2,3,3-trifluoro-

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3ClF5O/c4-2(6,7)1(5)3(8,9)10-1

InChIKey

YMAFMCIPUPVXCB-UHFFFAOYSA-N

Compound name

2-[chloro(difluoro)methyl]-2,3,3-trifluorooxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 181.95578 Da
Monoisotopic Mass: 2.3
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]+	182.96306	113.4
[M+Na]+	204.94500	126.5
[M-H]-	180.94850	113.5
[M+NH4]+	199.98960	131.8
[M+K]+	220.91894	125.6
[M+H-H2O]+	164.95304	107.4
[M+HCOO]-	226.95398	126.0
[M+CH3COO]-	240.96963	180.8
[M+Na-2H]-	202.93045	123.3
[M]+	181.95523	113.2
[M]-	181.95633	113.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe