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

57
Patents

239.94147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94875 140.0
[M+Na]+ 262.93069 151.9
[M-H]- 238.93419 143.5
[M+NH4]+ 257.97529 159.5
[M+K]+ 278.90463 146.4
[M+H-H2O]+ 222.93873 137.7
[M+HCOO]- 284.93967 148.4
[M+CH3COO]- 298.95532 183.4
[M+Na-2H]- 260.91614 143.3
[M]+ 239.94092 145.7
[M]- 239.94202 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