CID 16772992

926207-01-4

Structural Information

Molecular Formula
C14H12Cl2N2O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2Cl)N)Cl
InChI
InChI=1S/C14H12Cl2N2O3S/c1-22(20,21)10-4-2-8(3-5-10)14(19)18-13-11(15)6-9(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKey
SRHJOMOOVXXVIR-UHFFFAOYSA-N
Compound name
N-(4-amino-2,6-dichlorophenyl)-4-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.99457 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.00185 175.7
[M+Na]+ 380.98379 185.5
[M-H]- 356.98729 182.5
[M+NH4]+ 376.02839 189.9
[M+K]+ 396.95773 178.6
[M+H-H2O]+ 340.99183 170.6
[M+HCOO]- 402.99277 185.2
[M+CH3COO]- 417.00842 212.3
[M+Na-2H]- 378.96924 176.9
[M]+ 357.99402 180.5
[M]- 357.99512 180.5
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.