CID 22469748

53787-05-6

Structural Information

Molecular Formula
C8H15ClS
SMILES
C1CCC(CC1)SCCCl
InChI
InChI=1S/C8H15ClS/c9-6-7-10-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
VAAOBUYKGQIDFC-UHFFFAOYSA-N
Compound name
2-chloroethylsulfanylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

178.0583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06558 136.6
[M+Na]+ 201.04752 142.2
[M-H]- 177.05102 139.4
[M+NH4]+ 196.09212 158.0
[M+K]+ 217.02146 138.7
[M+H-H2O]+ 161.05556 132.1
[M+HCOO]- 223.05650 147.3
[M+CH3COO]- 237.07215 177.4
[M+Na-2H]- 199.03297 138.5
[M]+ 178.05775 135.8
[M]- 178.05885 135.8
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