CID 21829

4-methyl-2-phenyl-1,3-dithiolane

Structural Information

Molecular Formula
C10H12S2
SMILES
CC1CSC(S1)C2=CC=CC=C2
InChI
InChI=1S/C10H12S2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
XVRIROCKGOEPAW-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.03804 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04532 138.4
[M+Na]+ 219.02726 150.4
[M+NH4]+ 214.07186 149.8
[M+K]+ 235.00120 140.7
[M-H]- 195.03076 143.7
[M+Na-2H]- 217.01271 145.3
[M]+ 196.03749 142.7
[M]- 196.03859 142.7
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