CID 51956

N-sulfinyl-2,4,5-trichloroaniline

Structural Information

Molecular Formula
C6H2Cl3NOS
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)N=S=O
InChI
InChI=1S/C6H2Cl3NOS/c7-3-1-5(9)6(10-12-11)2-4(3)8/h1-2H
InChIKey
FHWVZKODJZFAQI-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-(sulfinylamino)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.89227 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.89955 146.6
[M+Na]+ 263.88149 161.6
[M+NH4]+ 258.92609 156.1
[M+K]+ 279.85543 151.2
[M-H]- 239.88499 149.4
[M+Na-2H]- 261.86694 153.4
[M]+ 240.89172 150.9
[M]- 240.89282 150.9
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.