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 125.6
[M+Na]+ 161.01622 134.4
[M-H]- 137.01972 126.7
[M+NH4]+ 156.06082 149.2
[M+K]+ 176.99016 131.9
[M+H-H2O]+ 121.02426 122.8
[M+HCOO]- 183.02520 138.2
[M+CH3COO]- 197.04085 172.5
[M+Na-2H]- 159.00167 129.7
[M]+ 138.02645 129.7
[M]- 138.02755 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