CID 193967

Chlordimorine

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
C1COCCN1CCCOC2=C(C=C(C=C2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C19H22ClNO2/c20-18-15-17(16-5-2-1-3-6-16)7-8-19(18)23-12-4-9-21-10-13-22-14-11-21/h1-3,5-8,15H,4,9-14H2
InChIKey
UXHRUDKGYGPMIE-UHFFFAOYSA-N
Compound name
4-[3-(2-chloro-4-phenylphenoxy)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

331.1339 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 179.0
[M+Na]+ 354.12312 184.2
[M-H]- 330.12662 186.3
[M+NH4]+ 349.16772 190.2
[M+K]+ 370.09706 179.4
[M+H-H2O]+ 314.13116 168.9
[M+HCOO]- 376.13210 192.0
[M+CH3COO]- 390.14775 188.5
[M+Na-2H]- 352.10857 182.2
[M]+ 331.13335 179.5
[M]- 331.13445 179.5
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

No patent data available for this compound.