CID 246667

4-acetamido-4'-chlorodiphenyl sulfone

Structural Information

Molecular Formula
C14H12ClNO3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,1H3,(H,16,17)
InChIKey
HJVPWOGNIQFJIG-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.02264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02992 165.5
[M+Na]+ 332.01186 174.6
[M-H]- 308.01536 173.0
[M+NH4]+ 327.05646 181.4
[M+K]+ 347.98580 168.9
[M+H-H2O]+ 292.01990 159.4
[M+HCOO]- 354.02084 179.9
[M+CH3COO]- 368.03649 201.0
[M+Na-2H]- 329.99731 169.2
[M]+ 309.02209 170.1
[M]- 309.02319 170.1
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