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 140.9
[M+Na]+ 263.88149 152.9
[M-H]- 239.88499 145.5
[M+NH4]+ 258.92609 161.2
[M+K]+ 279.85543 147.1
[M+H-H2O]+ 223.88953 138.4
[M+HCOO]- 285.89047 148.8
[M+CH3COO]- 299.90612 190.6
[M+Na-2H]- 261.86694 143.6
[M]+ 240.89172 146.4
[M]- 240.89282 146.4
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.