CID 6433440

2-styryl-1,3-dithiolane

Structural Information

Molecular Formula
C11H12S2
SMILES
C1CSC(S1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C11H12S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
InChIKey
ITTGPONHZMGPAN-VOTSOKGWSA-N
Compound name
2-[(E)-2-phenylethenyl]-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

208.03804 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.045316 143.9
[M+Na]+ 231.027258 151.6
[M-H]- 207.030764 150.3
[M+NH4]+ 226.071863 165.4
[M+K]+ 247.001198 146.7
[M+H-H2O]+ 191.035300 138.5
[M+HCOO]- 253.036241 157.1
[M+CH3COO]- 267.051891 156.5
[M+Na-2H]- 229.012706 143.6
[M]+ 208.03749142 142.9
[M]- 208.03858858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe