CID 2474337

4-(1,3-dithiolan-2-yl)-2-methoxyphenol

Structural Information

Molecular Formula
C10H12O2S2
SMILES
COC1=C(C=CC(=C1)C2SCCS2)O
InChI
InChI=1S/C10H12O2S2/c1-12-9-6-7(2-3-8(9)11)10-13-4-5-14-10/h2-3,6,10-11H,4-5H2,1H3
InChIKey
QMTIOHSDTHZCIL-UHFFFAOYSA-N
Compound name
4-(1,3-dithiolan-2-yl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.02788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03516 146.5
[M+Na]+ 251.01710 154.8
[M-H]- 227.02060 152.1
[M+NH4]+ 246.06170 166.8
[M+K]+ 266.99104 150.6
[M+H-H2O]+ 211.02514 141.5
[M+HCOO]- 273.02608 158.6
[M+CH3COO]- 287.04173 183.0
[M+Na-2H]- 249.00255 145.6
[M]+ 228.02733 147.6
[M]- 228.02843 147.6
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