CID 4411036

2,4,6-trichlorophenyl methanesulfonate

Structural Information

Molecular Formula
C7H5Cl3O3S
SMILES
CS(=O)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3O3S/c1-14(11,12)13-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey
RETMUCXYMQKDDY-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90978 145.9
[M+Na]+ 296.89172 157.9
[M-H]- 272.89522 149.8
[M+NH4]+ 291.93632 164.6
[M+K]+ 312.86566 152.7
[M+H-H2O]+ 256.89976 144.0
[M+HCOO]- 318.90070 150.4
[M+CH3COO]- 332.91635 191.3
[M+Na-2H]- 294.87717 148.6
[M]+ 273.90195 153.2
[M]- 273.90305 153.2
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.