CID 21149547

Fojspjuwkdlbin-uhfffaoysa-n

Structural Information

Molecular Formula
C7H6Cl2OS
SMILES
CSC1=C(C(=C(C=C1)O)Cl)Cl
InChI
InChI=1S/C7H6Cl2OS/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3
InChIKey
FOJSPJUWKDLBIN-UHFFFAOYSA-N
Compound name
2,3-dichloro-4-methylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.95164 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.958916 133.7
[M+Na]+ 230.940858 145.1
[M-H]- 206.944364 136.7
[M+NH4]+ 225.985463 154.6
[M+K]+ 246.914798 139.3
[M+H-H2O]+ 190.948900 131.2
[M+HCOO]- 252.949841 142.7
[M+CH3COO]- 266.965491 180.6
[M+Na-2H]- 228.926306 136.1
[M]+ 207.95109142 138.4
[M]- 207.95218858 138.4
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.