CID 475646

Chembl292808

Structural Information

Molecular Formula
C17H14ClNO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(C3=CC=CC=C3Cl)O
InChI
InChI=1S/C17H14ClNO3S/c18-16-9-5-4-8-15(16)17(20)13-10-11-19(12-13)23(21,22)14-6-2-1-3-7-14/h1-12,17,20H
InChIKey
OANRILCKDVANPL-UHFFFAOYSA-N
Compound name
[1-(benzenesulfonyl)pyrrol-3-yl]-(2-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0383 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.04558 177.8
[M+Na]+ 370.02752 187.2
[M-H]- 346.03102 186.0
[M+NH4]+ 365.07212 192.0
[M+K]+ 386.00146 180.7
[M+H-H2O]+ 330.03556 171.0
[M+HCOO]- 392.03650 189.5
[M+CH3COO]- 406.05215 202.5
[M+Na-2H]- 368.01297 178.9
[M]+ 347.03775 182.0
[M]- 347.03885 182.0
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.