CID 475641

Chembl57885

Structural Information

Molecular Formula
C17H11Cl2NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H11Cl2NO3S/c18-13-6-7-15(16(19)10-13)17(21)12-8-9-20(11-12)24(22,23)14-4-2-1-3-5-14/h1-11H
InChIKey
NPJRWPZPUNOYPJ-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)pyrrol-3-yl]-(2,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

378.98367 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.99095 183.6
[M+Na]+ 401.97289 194.7
[M-H]- 377.97639 192.9
[M+NH4]+ 397.01749 197.8
[M+K]+ 417.94683 187.6
[M+H-H2O]+ 361.98093 177.0
[M+HCOO]- 423.98187 191.8
[M+CH3COO]- 437.99752 209.4
[M+Na-2H]- 399.95834 183.5
[M]+ 378.98312 190.4
[M]- 378.98422 190.4
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

patents stripe