CID 21527191

2-[(2-bromoethyl)sulfanyl]propane

Structural Information

Molecular Formula
C5H11BrS
SMILES
CC(C)SCCBr
InChI
InChI=1S/C5H11BrS/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKey
FPCKRLDKFDUFLL-UHFFFAOYSA-N
Compound name
2-(2-bromoethylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

181.97649 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98377 124.4
[M+Na]+ 204.96571 135.9
[M-H]- 180.96921 128.1
[M+NH4]+ 200.01031 148.7
[M+K]+ 220.93965 125.5
[M+H-H2O]+ 164.97375 125.5
[M+HCOO]- 226.97469 140.1
[M+CH3COO]- 240.99034 179.9
[M+Na-2H]- 202.95116 129.2
[M]+ 181.97594 145.1
[M]- 181.97704 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

No literature data available for this compound.

Patent stripe

patents stripe