CID 3617559

3-chlorophenylimidodisulfuryl dichloride

Structural Information

Molecular Formula
C6H4Cl3NO4S2
SMILES
C1=CC(=CC(=C1)Cl)N(S(=O)(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H4Cl3NO4S2/c7-5-2-1-3-6(4-5)10(15(8,11)12)16(9,13)14/h1-4H
InChIKey
SUNHLFIDXGEQTP-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-chlorosulfonylsulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.86475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.87203 157.5
[M+Na]+ 345.85397 167.1
[M-H]- 321.85747 162.5
[M+NH4]+ 340.89857 173.8
[M+K]+ 361.82791 162.0
[M+H-H2O]+ 305.86201 155.1
[M+HCOO]- 367.86295 157.5
[M+CH3COO]- 381.87860 199.2
[M+Na-2H]- 343.83942 161.2
[M]+ 322.86420 164.1
[M]- 322.86530 164.1
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.