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]+ 348.045576 177.8
[M+Na]+ 370.027518 187.2
[M-H]- 346.031024 186.0
[M+NH4]+ 365.072123 192.0
[M+K]+ 386.001458 180.7
[M+H-H2O]+ 330.035560 171.0
[M+HCOO]- 392.036501 189.5
[M+CH3COO]- 406.052151 202.5
[M+Na-2H]- 368.012966 178.9
[M]+ 347.03775142 182.0
[M]- 347.03884858 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.