CID 122163205

[(chlorosulfonyl)imino](phenyl)(trifluoromethyl)-lambda6-sulfanone

Structural Information

Molecular Formula
C7H5ClF3NO3S2
SMILES
C1=CC=C(C=C1)S(=NS(=O)(=O)Cl)(=O)C(F)(F)F
InChI
InChI=1S/C7H5ClF3NO3S2/c8-17(14,15)12-16(13,7(9,10)11)6-4-2-1-3-5-6/h1-5H
InChIKey
VLLRMEJYXYHQGO-UHFFFAOYSA-N
Compound name
N-[oxo-phenyl-(trifluoromethyl)-lambda6-sulfanylidene]sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.93515 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.94243 155.5
[M+Na]+ 329.92437 165.3
[M-H]- 305.92787 156.9
[M+NH4]+ 324.96897 171.7
[M+K]+ 345.89831 159.4
[M+H-H2O]+ 289.93241 148.0
[M+HCOO]- 351.93335 161.4
[M+CH3COO]- 365.94900 195.7
[M+Na-2H]- 327.90982 160.9
[M]+ 306.93460 156.6
[M]- 306.93570 156.6
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.