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

6
Patents

138.027 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.034276 125.6
[M+Na]+ 161.016218 134.4
[M-H]- 137.019724 126.7
[M+NH4]+ 156.060823 149.2
[M+K]+ 176.990158 131.9
[M+H-H2O]+ 121.024260 122.8
[M+HCOO]- 183.025201 138.2
[M+CH3COO]- 197.040851 172.5
[M+Na-2H]- 159.001666 129.7
[M]+ 138.02645142 129.7
[M]- 138.02754858 129.7
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