CID 204804

Bis(bromomethyl) sulfide

Structural Information

Molecular Formula
C2H4Br2S
SMILES
C(SCBr)Br
InChI
InChI=1S/C2H4Br2S/c3-1-5-2-4/h1-2H2
InChIKey
QWMKLFPSXWESSN-UHFFFAOYSA-N
Compound name
bromo(bromomethylsulfanyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

217.84006 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.84734 109.8
[M+Na]+ 240.82928 122.5
[M-H]- 216.83278 115.0
[M+NH4]+ 235.87388 132.5
[M+K]+ 256.80322 107.0
[M+H-H2O]+ 200.83732 119.0
[M+HCOO]- 262.83826 123.2
[M+CH3COO]- 276.85391 190.9
[M+Na-2H]- 238.81473 118.2
[M]+ 217.83951 145.1
[M]- 217.84061 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe