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]+ 315.98748 160.3
[M+Na]+ 337.96942 169.1
[M-H]- 313.97292 162.9
[M+NH4]+ 333.01402 175.8
[M+K]+ 353.94336 163.4
[M+H-H2O]+ 297.97746 154.7
[M+HCOO]- 359.97840 166.5
[M+CH3COO]- 373.99405 199.9
[M+Na-2H]- 335.95487 162.8
[M]+ 314.97965 164.7
[M]- 314.98075 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.