CID 18072641

4-(3-fluorophenoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H8ClFO3S
SMILES
C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H8ClFO3S/c13-18(15,16)12-6-4-10(5-7-12)17-11-3-1-2-9(14)8-11/h1-8H
InChIKey
CTPANYMCABKYLN-UHFFFAOYSA-N
Compound name
4-(3-fluorophenoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.98666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.993936 155.3
[M+Na]+ 308.975878 166.2
[M-H]- 284.979384 161.7
[M+NH4]+ 304.020483 172.5
[M+K]+ 324.949818 160.7
[M+H-H2O]+ 268.983920 148.7
[M+HCOO]- 330.984861 169.1
[M+CH3COO]- 345.000511 193.4
[M+Na-2H]- 306.961326 159.8
[M]+ 285.98611142 160.1
[M]- 285.98720858 160.1
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