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]+ 318.125536 174.4
[M+Na]+ 340.107478 180.9
[M-H]- 316.110984 181.9
[M+NH4]+ 335.152083 189.5
[M+K]+ 356.081418 175.2
[M+H-H2O]+ 300.115520 165.3
[M+HCOO]- 362.116461 191.0
[M+CH3COO]- 376.132111 185.1
[M+Na-2H]- 338.092926 175.8
[M]+ 317.11771142 176.3
[M]- 317.11880858 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.