CID 22739

2-(4-chlorophenyl)-2-methyl-1,3-dithiolane

Structural Information

Molecular Formula
C10H11ClS2
SMILES
CC1(SCCS1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
YMBUWFFNNVVGFS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-methyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.99907 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00635 145.3
[M+Na]+ 252.98829 158.1
[M+NH4]+ 248.03289 158.2
[M+K]+ 268.96223 146.0
[M-H]- 228.99179 150.5
[M+Na-2H]- 250.97374 153.9
[M]+ 229.99852 150.2
[M]- 229.99962 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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