CID 11481442

Bromodimethylsulfonium bromide

Structural Information

Molecular Formula
C2H6BrS
SMILES
C[S+](C)Br
InChI
InChI=1S/C2H6BrS/c1-4(2)3/h1-2H3/q+1
InChIKey
LSCMQZREHCRXLA-UHFFFAOYSA-N
Compound name
bromo(dimethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

854
Patents

140.93736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.94464 110.2
[M+Na]+ 163.92658 123.0
[M-H]- 139.93008 114.9
[M+NH4]+ 158.97118 136.0
[M+K]+ 179.90052 108.6
[M+H-H2O]+ 123.93462 114.7
[M+HCOO]- 185.93556 126.8
[M+CH3COO]- 199.95121 165.5
[M+Na-2H]- 161.91203 118.7
[M]+ 140.93681 128.9
[M]- 140.93791 128.9
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