CID 735866

2,6-dichloro-4-(methylsulfonyl)phenol

Structural Information

Molecular Formula
C7H6Cl2O3S
SMILES
CS(=O)(=O)C1=CC(=C(C(=C1)Cl)O)Cl
InChI
InChI=1S/C7H6Cl2O3S/c1-13(11,12)4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKey
CTBGNTCBLZAIRI-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methylsulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

239.94147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.948746 140.0
[M+Na]+ 262.930688 151.9
[M-H]- 238.934194 143.5
[M+NH4]+ 257.975293 159.5
[M+K]+ 278.904628 146.4
[M+H-H2O]+ 222.938730 137.7
[M+HCOO]- 284.939671 148.4
[M+CH3COO]- 298.955321 183.4
[M+Na-2H]- 260.916136 143.3
[M]+ 239.94092142 145.7
[M]- 239.94201858 145.7
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