CID 470449

Chembl100294

Structural Information

Molecular Formula
C18H15Cl2NO
SMILES
C1=CC=C(C(=C1)CN2C=C(C(=C2)C3=CC=C(C=C3)Cl)CO)Cl
InChI
InChI=1S/C18H15Cl2NO/c19-16-7-5-13(6-8-16)17-11-21(10-15(17)12-22)9-14-3-1-2-4-18(14)20/h1-8,10-11,22H,9,12H2
InChIKey
ASLBMNKEVTVLHM-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrrol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.05307 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06035 175.5
[M+Na]+ 354.04229 185.9
[M-H]- 330.04579 182.2
[M+NH4]+ 349.08689 190.6
[M+K]+ 370.01623 177.3
[M+H-H2O]+ 314.05033 167.7
[M+HCOO]- 376.05127 188.1
[M+CH3COO]- 390.06692 186.7
[M+Na-2H]- 352.02774 176.2
[M]+ 331.05252 179.2
[M]- 331.05362 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.