CID 16226988

2-chloro-n-[2-(phenylsulfanyl)phenyl]propanamide

Structural Information

Molecular Formula
C15H14ClNOS
SMILES
CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)Cl
InChI
InChI=1S/C15H14ClNOS/c1-11(16)15(18)17-13-9-5-6-10-14(13)19-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,18)
InChIKey
IBLDQWLDRMLMDA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-phenylsulfanylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04846 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05574 163.4
[M+Na]+ 314.03768 170.3
[M-H]- 290.04118 170.0
[M+NH4]+ 309.08228 179.8
[M+K]+ 330.01162 164.4
[M+H-H2O]+ 274.04572 156.9
[M+HCOO]- 336.04666 177.1
[M+CH3COO]- 350.06231 200.6
[M+Na-2H]- 312.02313 165.1
[M]+ 291.04791 166.4
[M]- 291.04901 166.4
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.