CID 3569193

477334-51-3

Structural Information

Molecular Formula
C16H15FO4S
SMILES
COC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H15FO4S/c1-21-14-6-2-12(3-7-14)16(18)10-11-22(19,20)15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3
InChIKey
UQBGYYHTOVGYJV-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0675 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07478 170.2
[M+Na]+ 345.05672 178.3
[M-H]- 321.06022 175.8
[M+NH4]+ 340.10132 184.6
[M+K]+ 361.03066 174.0
[M+H-H2O]+ 305.06476 161.8
[M+HCOO]- 367.06570 186.5
[M+CH3COO]- 381.08135 203.7
[M+Na-2H]- 343.04217 172.2
[M]+ 322.06695 174.3
[M]- 322.06805 174.3
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

No patent data available for this compound.