CID 155821249

Rac-(1r,2s)-1-chloro-2-(methylsulfanyl)cyclopentane

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 130.2
[M+Na]+ 173.01622 138.7
[M-H]- 149.01972 134.0
[M+NH4]+ 168.06082 154.9
[M+K]+ 188.99016 135.7
[M+H-H2O]+ 133.02426 126.5
[M+HCOO]- 195.02520 143.5
[M+CH3COO]- 209.04085 172.3
[M+Na-2H]- 171.00167 130.8
[M]+ 150.02645 131.2
[M]- 150.02755 131.2
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.