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

33
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 157.3
[M+Na]+ 358.83797 167.6
[M-H]- 334.84147 161.4
[M+NH4]+ 353.88257 172.9
[M+K]+ 374.81191 161.8
[M+H-H2O]+ 318.84601 155.7
[M+HCOO]- 380.84695 155.3
[M+CH3COO]- 394.86260 197.4
[M+Na-2H]- 356.82342 159.6
[M]+ 335.84820 164.3
[M]- 335.84930 164.3
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