CID 3519858

3-fluoro-n-[(pyridin-3-yl)methyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H11FN2O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCC2=CN=CC=C2)F
InChI
InChI=1S/C12H11FN2O2S/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2
InChIKey
OLSSNLCBQWWWAA-UHFFFAOYSA-N
Compound name
3-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.05252 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05980 155.0
[M+Na]+ 289.04174 163.7
[M-H]- 265.04524 159.4
[M+NH4]+ 284.08634 170.2
[M+K]+ 305.01568 158.6
[M+H-H2O]+ 249.04978 146.3
[M+HCOO]- 311.05072 172.8
[M+CH3COO]- 325.06637 194.0
[M+Na-2H]- 287.02719 161.0
[M]+ 266.05197 155.5
[M]- 266.05307 155.5
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.