CID 199761

3-(3,4-dichlorophenyl)-5-phenyl-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula
C16H15Cl2NO
SMILES
C1C(NCC1(C2=CC(=C(C=C2)Cl)Cl)O)C3=CC=CC=C3
InChI
InChI=1S/C16H15Cl2NO/c17-13-7-6-12(8-14(13)18)16(20)9-15(19-10-16)11-4-2-1-3-5-11/h1-8,15,19-20H,9-10H2
InChIKey
VKKXAJLFZWXGJP-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-phenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05307 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06035 168.3
[M+Na]+ 330.04229 177.3
[M-H]- 306.04579 173.4
[M+NH4]+ 325.08689 185.3
[M+K]+ 346.01623 168.7
[M+H-H2O]+ 290.05033 161.6
[M+HCOO]- 352.05127 177.5
[M+CH3COO]- 366.06692 178.8
[M+Na-2H]- 328.02774 169.6
[M]+ 307.05252 166.5
[M]- 307.05362 166.5
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

patents stripe