CID 514872

Benzenamine, 2-(3,4-dichlorophenoxy)-5-(methylsulfonyl)-

Structural Information

Molecular Formula
C13H11Cl2NO3S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C13H11Cl2NO3S/c1-20(17,18)9-3-5-13(12(16)7-9)19-8-2-4-10(14)11(15)6-8/h2-7H,16H2,1H3
InChIKey
JHXBPSKEYDAHNA-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenoxy)-5-methylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

330.98367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99095 167.7
[M+Na]+ 353.97289 178.9
[M-H]- 329.97639 174.8
[M+NH4]+ 349.01749 183.5
[M+K]+ 369.94683 172.3
[M+H-H2O]+ 313.98093 162.9
[M+HCOO]- 375.98187 177.4
[M+CH3COO]- 389.99752 204.8
[M+Na-2H]- 351.95834 169.8
[M]+ 330.98312 174.1
[M]- 330.98422 174.1
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

No patent data available for this compound.