CID 22331

4-(chloromethyl)-2,2-dimethyl-1,3-dithiolane

Structural Information

Molecular Formula
C6H11ClS2
SMILES
CC1(SCC(S1)CCl)C
InChI
InChI=1S/C6H11ClS2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey
SGFKSWJIHZQDSJ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2,2-dimethyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

181.99907 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00635 133.0
[M+Na]+ 204.98829 142.2
[M-H]- 180.99179 136.9
[M+NH4]+ 200.03289 158.4
[M+K]+ 220.96223 138.4
[M+H-H2O]+ 164.99633 130.5
[M+HCOO]- 226.99727 140.7
[M+CH3COO]- 241.01292 176.8
[M+Na-2H]- 202.97374 133.1
[M]+ 181.99852 135.2
[M]- 181.99962 135.2
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

patents stripe