CID 213431

Phenetole, o-(p-chlorophenoxy)-beta-pyrrolidinyl-, hydrochloride

Structural Information

Molecular Formula
C18H20ClNO2
SMILES
C1CCN(C1)CCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClNO2/c19-15-7-9-16(10-8-15)22-18-6-2-1-5-17(18)21-14-13-20-11-3-4-12-20/h1-2,5-10H,3-4,11-14H2
InChIKey
GETBMRRTXZOLKS-UHFFFAOYSA-N
Compound name
1-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11826 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12554 174.4
[M+Na]+ 340.10748 180.9
[M-H]- 316.11098 181.9
[M+NH4]+ 335.15208 189.5
[M+K]+ 356.08142 175.2
[M+H-H2O]+ 300.11552 165.3
[M+HCOO]- 362.11646 191.0
[M+CH3COO]- 376.13211 185.1
[M+Na-2H]- 338.09293 175.8
[M]+ 317.11771 176.3
[M]- 317.11881 176.3
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.