CID 38776

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

Structural Information

Molecular Formula
C10H11ClS2
SMILES
C1C(SC(S1)C2=CC=CC=C2)CCl
InChI
InChI=1S/C10H11ClS2/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
MFVFSZKLKWPPDJ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-phenyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.99907 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00635 145.3
[M+Na]+ 252.98829 158.0
[M+NH4]+ 248.03289 156.8
[M+K]+ 268.96223 147.4
[M-H]- 228.99179 150.6
[M+Na-2H]- 250.97374 152.1
[M]+ 229.99852 149.9
[M]- 229.99962 149.9
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