CID 501137

60264-29-1

Structural Information

Molecular Formula
C13H12FNO2S
SMILES
CC(C1=CC=C(C=C1)F)S(=O)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C13H12FNO2S/c1-10(11-5-7-12(14)8-6-11)18(17)13-4-2-3-9-15(13)16/h2-10H,1H3
InChIKey
GLVCVTDOUQGAEL-UHFFFAOYSA-N
Compound name
2-[1-(4-fluorophenyl)ethylsulfinyl]-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.05728 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06456 153.6
[M+Na]+ 288.04650 161.1
[M-H]- 264.05000 156.7
[M+NH4]+ 283.09110 168.0
[M+K]+ 304.02044 151.9
[M+H-H2O]+ 248.05454 149.8
[M+HCOO]- 310.05548 168.4
[M+CH3COO]- 324.07113 185.4
[M+Na-2H]- 286.03195 156.4
[M]+ 265.05673 151.4
[M]- 265.05783 151.4
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