CID 511940

2-[(4-fluorophenyl)methyl]-5-methylsulfonyl-pyridine

Structural Information

Molecular Formula
C13H12FNO2S
SMILES
CS(=O)(=O)C1=CN=C(C=C1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C13H12FNO2S/c1-18(16,17)13-7-6-12(15-9-13)8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3
InChIKey
KWRYHFKKVCHJGL-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-5-methylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.05728 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06456 155.5
[M+Na]+ 288.04650 165.5
[M-H]- 264.05000 160.3
[M+NH4]+ 283.09110 171.4
[M+K]+ 304.02044 160.5
[M+H-H2O]+ 248.05454 147.2
[M+HCOO]- 310.05548 172.0
[M+CH3COO]- 324.07113 193.2
[M+Na-2H]- 286.03195 159.7
[M]+ 265.05673 157.5
[M]- 265.05783 157.5
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.