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

67
Patents

124.01135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.018626 120.4
[M+Na]+ 147.000568 128.8
[M-H]- 123.004074 121.3
[M+NH4]+ 142.045173 144.2
[M+K]+ 162.974508 126.7
[M+H-H2O]+ 107.008610 117.3
[M+HCOO]- 169.009551 133.7
[M+CH3COO]- 183.025201 170.1
[M+Na-2H]- 144.986016 123.3
[M]+ 124.01080142 123.9
[M]- 124.01189858 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

literature stripe

Patent stripe

patents stripe