CID 60860100

3-fluoro-4-(propane-2-sulfonamido)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H11ClFNO4S2
SMILES
CC(C)S(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H11ClFNO4S2/c1-6(2)18(15,16)12-9-4-3-7(5-8(9)11)17(10,13)14/h3-6,12H,1-2H3
InChIKey
BTHXPXSYVXNBOT-UHFFFAOYSA-N
Compound name
3-fluoro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.9802 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.987476 160.3
[M+Na]+ 337.969418 169.1
[M-H]- 313.972924 162.9
[M+NH4]+ 333.014023 175.8
[M+K]+ 353.943358 163.4
[M+H-H2O]+ 297.977460 154.7
[M+HCOO]- 359.978401 166.5
[M+CH3COO]- 373.994051 199.9
[M+Na-2H]- 335.954866 162.8
[M]+ 314.97965142 164.7
[M]- 314.98074858 164.7
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.