CID 618879

4,4'-thiobis(2-methylphenol)

Structural Information

Molecular Formula
C14H14O2S
SMILES
CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C14H14O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3
InChIKey
IBNFPRMKLZDANU-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5583
Patents

246.07146 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.078736 152.2
[M+Na]+ 269.060678 161.7
[M-H]- 245.064184 157.3
[M+NH4]+ 264.105283 169.5
[M+K]+ 285.034618 156.2
[M+H-H2O]+ 229.068720 146.1
[M+HCOO]- 291.069661 168.8
[M+CH3COO]- 305.085311 189.4
[M+Na-2H]- 267.046126 153.7
[M]+ 246.07091142 154.3
[M]- 246.07200858 154.3
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