CID 139593220

2-fluoro-5-(trifluoromethoxy)benzene-1-sulfonamide

Structural Information

Molecular Formula
C7H5F4NO3S
SMILES
C1=CC(=C(C=C1OC(F)(F)F)S(=O)(=O)N)F
InChI
InChI=1S/C7H5F4NO3S/c8-5-2-1-4(15-7(9,10)11)3-6(5)16(12,13)14/h1-3H,(H2,12,13,14)
InChIKey
NJTSIMLSEMDFSN-UHFFFAOYSA-N
Compound name
2-fluoro-5-(trifluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99988 144.6
[M+Na]+ 281.98182 154.8
[M-H]- 257.98532 143.3
[M+NH4]+ 277.02642 161.4
[M+K]+ 297.95576 151.3
[M+H-H2O]+ 241.98986 135.7
[M+HCOO]- 303.99080 158.4
[M+CH3COO]- 318.00645 191.3
[M+Na-2H]- 279.96727 148.1
[M]+ 258.99205 141.8
[M]- 258.99315 141.8
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.