CID 53470651

2,2'-thiobis(6-chloro-4-ethylphenol)

Structural Information

Molecular Formula
C16H16Cl2O2S
SMILES
CCC1=CC(=C(C(=C1)Cl)O)SC2=C(C(=CC(=C2)CC)Cl)O
InChI
InChI=1S/C16H16Cl2O2S/c1-3-9-5-11(17)15(19)13(7-9)21-14-8-10(4-2)6-12(18)16(14)20/h5-8,19-20H,3-4H2,1-2H3
InChIKey
DWORIKGYRYABBW-UHFFFAOYSA-N
Compound name
2-chloro-6-(3-chloro-5-ethyl-2-hydroxyphenyl)sulfanyl-4-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0248 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03208 170.2
[M+Na]+ 365.01402 181.2
[M-H]- 341.01752 175.0
[M+NH4]+ 360.05862 185.5
[M+K]+ 380.98796 173.0
[M+H-H2O]+ 325.02206 166.0
[M+HCOO]- 387.02300 176.7
[M+CH3COO]- 401.03865 205.8
[M+Na-2H]- 362.99947 168.6
[M]+ 342.02425 177.0
[M]- 342.02535 177.0
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

No patent data available for this compound.