CID 12768927

19826-04-1

Structural Information

Molecular Formula
C5H11ClS
SMILES
CC(C)(CCl)SC
InChI
InChI=1S/C5H11ClS/c1-5(2,4-6)7-3/h4H2,1-3H3
InChIKey
DUTPESZACJEEER-UHFFFAOYSA-N
Compound name
1-chloro-2-methyl-2-methylsulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

138.027 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03428 129.2
[M+Na]+ 161.01622 140.7
[M+NH4]+ 156.06082 139.0
[M+K]+ 176.99016 132.3
[M-H]- 137.01972 129.5
[M+Na-2H]- 159.00167 133.4
[M]+ 138.02645 131.8
[M]- 138.02755 131.8
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