CID 122163984

(3-bromophenyl)[(chlorosulfonyl)imino]methyl-lambda6-sulfanone

Structural Information

Molecular Formula
C7H7BrClNO3S2
SMILES
CS(=NS(=O)(=O)Cl)(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C7H7BrClNO3S2/c1-14(11,10-15(9,12)13)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
DCYVAORKXKYXQB-UHFFFAOYSA-N
Compound name
N-[(3-bromophenyl)-methyl-oxo-lambda6-sulfanylidene]sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.87393 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.88121 143.0
[M+Na]+ 353.86315 157.4
[M-H]- 329.86665 151.4
[M+NH4]+ 348.90775 162.9
[M+K]+ 369.83709 142.9
[M+H-H2O]+ 313.87119 144.2
[M+HCOO]- 375.87213 152.0
[M+CH3COO]- 389.88778 198.4
[M+Na-2H]- 351.84860 151.0
[M]+ 330.87338 166.5
[M]- 330.87448 166.5
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.