CID 475640

Chembl60485

Structural Information

Molecular Formula
C17H12ClNO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H12ClNO3S/c18-15-8-6-13(7-9-15)17(20)14-10-11-19(12-14)23(21,22)16-4-2-1-3-5-16/h1-12H
InChIKey
WCLJZSZXZBAYKZ-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)pyrrol-3-yl]-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.02264 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.02992 177.9
[M+Na]+ 368.01186 188.1
[M-H]- 344.01536 187.5
[M+NH4]+ 363.05646 192.8
[M+K]+ 383.98580 181.7
[M+H-H2O]+ 328.01990 170.7
[M+HCOO]- 390.02084 191.3
[M+CH3COO]- 404.03649 204.1
[M+Na-2H]- 365.99731 179.2
[M]+ 345.02209 183.2
[M]- 345.02319 183.2
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.