CID 108421

60222-99-3

Structural Information

Molecular Formula

C₈H₁₀Br₄N₂S₂

SMILES

C(C(CBr)Br)SC(=NC#N)SCC(CBr)Br

InChI

InChI=1S/C8H10Br4N2S2/c9-1-6(11)3-15-8(14-5-13)16-4-7(12)2-10/h6-7H,1-4H2

InChIKey

LIHVYIJZAPOEDI-UHFFFAOYSA-N

Compound name

bis(2,3-dibromopropylsulfanyl)methylidenecyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 513.7019 Da
Monoisotopic Mass: 5.1
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]+	514.70918	121.5
[M+Na]+	536.69112	129.6
[M-H]-	512.69462	122.9
[M+NH4]+	531.73572	130.7
[M+K]+	552.66506	114.9
[M+H-H2O]+	496.69916	134.2
[M+HCOO]-	558.70010	126.7
[M+CH3COO]-	572.71575	243.3
[M+Na-2H]-	534.67657	125.3
[M]+	513.70135	154.6
[M]-	513.70245	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe