CID 212512

3-(1,3-dithian-2-yl)phenol

Structural Information

Molecular Formula
C10H12OS2
SMILES
C1CSC(SC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H12OS2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2
InChIKey
BXVWCHBJOLQVSZ-UHFFFAOYSA-N
Compound name
3-(1,3-dithian-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.03296 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04024 138.8
[M+Na]+ 235.02218 150.8
[M+NH4]+ 230.06678 149.6
[M+K]+ 250.99612 140.2
[M-H]- 211.02568 143.9
[M+Na-2H]- 233.00763 146.1
[M]+ 212.03241 143.0
[M]- 212.03351 143.0
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