CID 25138884

4-fluoro-3-methanesulfonylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8FNO4S2
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)N)F
InChI
InChI=1S/C7H8FNO4S2/c1-14(10,11)7-4-5(15(9,12)13)2-3-6(7)8/h2-4H,1H3,(H2,9,12,13)
InChIKey
LBUQGJUXHYMFGR-UHFFFAOYSA-N
Compound name
4-fluoro-3-methylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98788 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99516 148.3
[M+Na]+ 275.97710 158.0
[M-H]- 251.98060 150.4
[M+NH4]+ 271.02170 165.2
[M+K]+ 291.95104 153.1
[M+H-H2O]+ 235.98514 141.8
[M+HCOO]- 297.98608 159.9
[M+CH3COO]- 312.00173 188.9
[M+Na-2H]- 273.96255 151.6
[M]+ 252.98733 149.7
[M]- 252.98843 149.7
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.