CID 475650

Chembl59133

Structural Information

Molecular Formula
C17H12Cl3NO3S
SMILES
C1=CC(=CC=C1S(=O)(=O)N2C=CC(=C2)C(C3=C(C=C(C=C3)Cl)Cl)O)Cl
InChI
InChI=1S/C17H12Cl3NO3S/c18-12-1-4-14(5-2-12)25(23,24)21-8-7-11(10-21)17(22)15-6-3-13(19)9-16(15)20/h1-10,17,22H
InChIKey
WBBNXNCRYUOLLB-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]-(2,4-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.96036 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.96764 187.9
[M+Na]+ 437.94958 198.8
[M-H]- 413.95308 195.1
[M+NH4]+ 432.99418 200.5
[M+K]+ 453.92352 191.3
[M+H-H2O]+ 397.95762 182.4
[M+HCOO]- 459.95856 189.2
[M+CH3COO]- 473.97421 197.8
[M+Na-2H]- 435.93503 186.2
[M]+ 414.95981 194.3
[M]- 414.96091 194.3
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.