CID 13089859

18267-19-1

Structural Information

Molecular Formula
C4H9ClS
SMILES
CC(C)SCCl
InChI
InChI=1S/C4H9ClS/c1-4(2)6-3-5/h4H,3H2,1-2H3
InChIKey
GTGKNQUHLOGQGH-UHFFFAOYSA-N
Compound name
2-(chloromethylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

124.01135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.01863 120.4
[M+Na]+ 147.00057 128.8
[M-H]- 123.00407 121.3
[M+NH4]+ 142.04517 144.2
[M+K]+ 162.97451 126.7
[M+H-H2O]+ 107.00861 117.3
[M+HCOO]- 169.00955 133.7
[M+CH3COO]- 183.02520 170.1
[M+Na-2H]- 144.98602 123.3
[M]+ 124.01080 123.9
[M]- 124.01190 123.9
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

No patent data available for this compound.