CID 45572

Usaf uctl-904

Structural Information

Molecular Formula

C₆H₁₂Br₂S₂

SMILES

C(CSCCBr)SCCBr

InChI

InChI=1S/C6H12Br2S2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

InChIKey

BYFDQYYQTOBXJG-UHFFFAOYSA-N

Compound name

1,2-bis(2-bromoethylsulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 305.87473 Da
Monoisotopic Mass: 3.0
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]+	306.88201	117.2
[M+Na]+	328.86395	129.2
[M-H]-	304.86745	121.8
[M+NH4]+	323.90855	137.5
[M+K]+	344.83789	111.5
[M+H-H2O]+	288.87199	125.7
[M+HCOO]-	350.87293	125.4
[M+CH3COO]-	364.88858	203.6
[M+Na-2H]-	326.84940	123.2
[M]+	305.87418	153.8
[M]-	305.87528	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe