CID 104356

Amidosulfenyl chloride, methyl((4-methylphenyl)sulfonyl)-

Structural Information

Molecular Formula
C8H10ClNO2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)SCl
InChI
InChI=1S/C8H10ClNO2S2/c1-7-3-5-8(6-4-7)14(11,12)10(2)13-9/h3-6H,1-2H3
InChIKey
NAWQKWLDGDPPJR-UHFFFAOYSA-N
Compound name
[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

250.98415 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.99143 148.4
[M+Na]+ 273.97337 157.5
[M-H]- 249.97687 153.8
[M+NH4]+ 269.01797 167.5
[M+K]+ 289.94731 152.9
[M+H-H2O]+ 233.98141 143.5
[M+HCOO]- 295.98235 158.2
[M+CH3COO]- 309.99800 192.7
[M+Na-2H]- 271.95882 151.1
[M]+ 250.98360 154.2
[M]- 250.98470 154.2
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

patents stripe