CID 112572898

2-(4-fluorophenoxy)pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C11H7ClFNO3S
SMILES
C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)S(=O)(=O)Cl
InChI
InChI=1S/C11H7ClFNO3S/c12-18(15,16)10-2-1-7-14-11(10)17-9-5-3-8(13)4-6-9/h1-7H
InChIKey
HIODABLDHXBFIF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.98193 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98921 154.9
[M+Na]+ 309.97115 166.2
[M-H]- 285.97465 160.1
[M+NH4]+ 305.01575 170.7
[M+K]+ 325.94509 160.8
[M+H-H2O]+ 269.97919 147.5
[M+HCOO]- 331.98013 167.8
[M+CH3COO]- 345.99578 193.1
[M+Na-2H]- 307.95660 160.0
[M]+ 286.98138 159.8
[M]- 286.98248 159.8
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.