CID 4254862

868255-93-0

Structural Information

Molecular Formula
C15H12ClFO3S
SMILES
C1=CC(=CC=C1C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C15H12ClFO3S/c16-12-3-7-14(8-4-12)21(19,20)10-9-15(18)11-1-5-13(17)6-2-11/h1-8H,9-10H2
InChIKey
LOGRIWROHCTKKW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.01797 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02525 167.3
[M+Na]+ 349.00719 176.9
[M-H]- 325.01069 173.3
[M+NH4]+ 344.05179 182.7
[M+K]+ 364.98113 170.6
[M+H-H2O]+ 309.01523 160.3
[M+HCOO]- 371.01617 179.3
[M+CH3COO]- 385.03182 202.3
[M+Na-2H]- 346.99264 169.4
[M]+ 326.01742 172.0
[M]- 326.01852 172.0
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.