CID 13089859

2-[(chloromethyl)sulfanyl]propane

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

80
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 122.5
[M+Na]+ 147.00057 134.2
[M+NH4]+ 142.04517 132.7
[M+K]+ 162.97451 125.8
[M-H]- 123.00407 123.4
[M+Na-2H]- 144.98602 126.9
[M]+ 124.01080 125.2
[M]- 124.01190 125.2
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

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