CID 3693397

107623-18-7

Structural Information

Molecular Formula
C13H11Cl2NS
SMILES
C1=CC(=CC=C1NCSC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2NS/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,16H,9H2
InChIKey
PWAVJNVCQNVRPT-UHFFFAOYSA-N
Compound name
4-chloro-N-[(4-chlorophenyl)sulfanylmethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.99893 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.00621 160.5
[M+Na]+ 305.98815 176.8
[M+NH4]+ 301.03275 171.3
[M+K]+ 321.96209 164.4
[M-H]- 281.99165 166.9
[M+Na-2H]- 303.97360 170.6
[M]+ 282.99838 165.9
[M]- 282.99948 165.9
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.