CID 122163425

[(chlorosulfonyl)imino](4-fluorophenyl)(trifluoromethyl)-lambda6-sulfanone

Structural Information

Molecular Formula
C7H4ClF4NO3S2
SMILES
C1=CC(=CC=C1F)S(=NS(=O)(=O)Cl)(=O)C(F)(F)F
InChI
InChI=1S/C7H4ClF4NO3S2/c8-18(15,16)13-17(14,7(10,11)12)6-3-1-5(9)2-4-6/h1-4H
InChIKey
QSMFTGPNFGUKEH-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)-oxo-(trifluoromethyl)-lambda6-sulfanylidene]sulfamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.92572 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.93300 156.4
[M+Na]+ 347.91494 166.9
[M-H]- 323.91844 156.7
[M+NH4]+ 342.95954 172.1
[M+K]+ 363.88888 160.7
[M+H-H2O]+ 307.92298 148.1
[M+HCOO]- 369.92392 161.2
[M+CH3COO]- 383.93957 199.6
[M+Na-2H]- 345.90039 160.8
[M]+ 324.92517 156.7
[M]- 324.92627 156.7
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.