CID 43455423

1154650-40-4

Structural Information

Molecular Formula
C9H11FN2O2S
SMILES
C1CC2=C(C=CC(=C2NC1)F)S(=O)(=O)N
InChI
InChI=1S/C9H11FN2O2S/c10-7-3-4-8(15(11,13)14)6-2-1-5-12-9(6)7/h3-4,12H,1-2,5H2,(H2,11,13,14)
InChIKey
MODFQAVDDWFOEX-UHFFFAOYSA-N
Compound name
8-fluoro-1,2,3,4-tetrahydroquinoline-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05252 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.059796 144.7
[M+Na]+ 253.041738 153.0
[M-H]- 229.045244 144.6
[M+NH4]+ 248.086343 161.8
[M+K]+ 269.015678 148.1
[M+H-H2O]+ 213.049780 138.1
[M+HCOO]- 275.050721 156.8
[M+CH3COO]- 289.066371 185.5
[M+Na-2H]- 251.027186 149.3
[M]+ 230.05197142 140.5
[M]- 230.05306858 140.5
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.