CID 155821249

2445749-85-7

Structural Information

Molecular Formula
C6H11ClS
SMILES
CS[C@@H]1CCC[C@@H]1Cl
InChI
InChI=1S/C6H11ClS/c1-8-6-4-2-3-5(6)7/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey
LVWFVSPXSSUHEE-NTSWFWBYSA-N
Compound name
(1S,2R)-1-chloro-2-methylsulfanylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.027 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03428 129.4
[M+Na]+ 173.01622 140.6
[M+NH4]+ 168.06082 140.2
[M+K]+ 188.99016 133.1
[M-H]- 149.01972 131.9
[M+Na-2H]- 171.00167 134.0
[M]+ 150.02645 132.4
[M]- 150.02755 132.4
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

No patent data available for this compound.