CID 56843991

2,2'-thiobis[6-chloro-p-cresol]

Structural Information

Molecular Formula
C14H12Cl2O2S
SMILES
CC1=CC(=C(C(=C1)Cl)O)SC2=C(C(=CC(=C2)C)Cl)O
InChI
InChI=1S/C14H12Cl2O2S/c1-7-3-9(15)13(17)11(5-7)19-12-6-8(2)4-10(16)14(12)18/h3-6,17-18H,1-2H3
InChIKey
MREHSIFYCIVVAS-UHFFFAOYSA-N
Compound name
2-chloro-6-(3-chloro-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.9935 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.00078 161.4
[M+Na]+ 336.98272 173.3
[M-H]- 312.98622 166.5
[M+NH4]+ 332.02732 177.8
[M+K]+ 352.95666 165.5
[M+H-H2O]+ 296.99076 157.7
[M+HCOO]- 358.99170 168.5
[M+CH3COO]- 373.00735 200.0
[M+Na-2H]- 334.96817 160.8
[M]+ 313.99295 167.5
[M]- 313.99405 167.5
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

patents stripe