CID 101653

336-12-9

Structural Information

Molecular Formula

C₆Br₂F₁₀

SMILES

C1(C(C(C(C(C1(F)F)(F)Br)(F)Br)(F)F)(F)F)(F)F

InChI

InChI=1S/C6Br2F10/c7-1(9)2(8,10)4(13,14)6(17,18)5(15,16)3(1,11)12

InChIKey

UZFCMXAAGXJLNT-UHFFFAOYSA-N

Compound name

1,2-dibromo-1,2,3,3,4,4,5,5,6,6-decafluorocyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 419.8207 Da
Monoisotopic Mass: 4.9
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]+	420.82798	153.3
[M+Na]+	442.80992	169.3
[M-H]-	418.81342	152.9
[M+NH4]+	437.85452	176.9
[M+K]+	458.78386	153.9
[M+H-H2O]+	402.81796	160.6
[M+HCOO]-	464.81890	159.8
[M+CH3COO]-	478.83455	219.6
[M+Na-2H]-	440.79537	158.6
[M]+	419.82015	176.2
[M]-	419.82125	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe