CID 16751327

5-fluoro-1-tosylindole

Structural Information

Molecular Formula
C15H12FNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)F
InChI
InChI=1S/C15H12FNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
InChIKey
JPFSSJDNUINXFD-UHFFFAOYSA-N
Compound name
5-fluoro-1-(4-methylphenyl)sulfonylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

289.05728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06456 162.7
[M+Na]+ 312.04650 175.4
[M-H]- 288.05000 169.5
[M+NH4]+ 307.09110 181.0
[M+K]+ 328.02044 169.7
[M+H-H2O]+ 272.05454 155.4
[M+HCOO]- 334.05548 180.8
[M+CH3COO]- 348.07113 176.1
[M+Na-2H]- 310.03195 166.8
[M]+ 289.05673 167.3
[M]- 289.05783 167.3
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

patents stripe