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 145.5
[M+Na]+ 251.01710 156.2
[M+NH4]+ 246.06170 155.3
[M+K]+ 266.99104 148.1
[M-H]- 227.02060 149.3
[M+Na-2H]- 249.00255 150.7
[M]+ 228.02733 149.0
[M]- 228.02843 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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