CID 169971

3,5-bis(chlorosulfonyl)benzoyl chloride

Structural Information

Molecular Formula
C7H3Cl3O5S2
SMILES
C1=C(C=C(C=C1S(=O)(=O)Cl)S(=O)(=O)Cl)C(=O)Cl
InChI
InChI=1S/C7H3Cl3O5S2/c8-7(11)4-1-5(16(9,12)13)3-6(2-4)17(10,14)15/h1-3H
InChIKey
UCPAOLHXMFSGKT-UHFFFAOYSA-N
Compound name
3,5-bis(chlorosulfonyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

335.84875 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.85603 174.4
[M+Na]+ 358.83797 185.5
[M+NH4]+ 353.88257 180.3
[M+K]+ 374.81191 177.3
[M-H]- 334.84147 172.5
[M+Na-2H]- 356.82342 177.0
[M]+ 335.84820 177.0
[M]- 335.84930 177.0
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