CID 96262

Tert-butyl 2-chloroethyl sulfide

Structural Information

Molecular Formula
C6H13ClS
SMILES
CC(C)(C)SCCCl
InChI
InChI=1S/C6H13ClS/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3
InChIKey
FTZZXHJHQHXYRA-UHFFFAOYSA-N
Compound name
2-(2-chloroethylsulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

152.04265 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04993 130.4
[M+Na]+ 175.03187 138.8
[M-H]- 151.03537 131.3
[M+NH4]+ 170.07647 153.4
[M+K]+ 191.00581 136.1
[M+H-H2O]+ 135.03991 127.4
[M+HCOO]- 197.04085 142.7
[M+CH3COO]- 211.05650 174.9
[M+Na-2H]- 173.01732 134.0
[M]+ 152.04210 134.7
[M]- 152.04320 134.7
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