CID 786373

1-chloro-4-((4-fluorophenyl)sulfonyl)benzene

Structural Information

Molecular Formula
C12H8ClFO2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8ClFO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
InChIKey
URPIOHXFOXUKJB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

269.99176 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99904 151.9
[M+Na]+ 292.98098 163.0
[M-H]- 268.98448 158.4
[M+NH4]+ 288.02558 169.9
[M+K]+ 308.95492 156.9
[M+H-H2O]+ 252.98902 145.5
[M+HCOO]- 314.98996 165.5
[M+CH3COO]- 329.00561 191.4
[M+Na-2H]- 290.96643 156.3
[M]+ 269.99121 155.3
[M]- 269.99231 155.3
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