CID 3043329

Morpholine, 4,4'-((2,3,5,6-tetrachloro-1,4-phenylene)bis(methylene))bis-, dihydrochloride

Structural Information

Molecular Formula
C16H20Cl4N2O2
SMILES
C1COCCN1CC2=C(C(=C(C(=C2Cl)Cl)CN3CCOCC3)Cl)Cl
InChI
InChI=1S/C16H20Cl4N2O2/c17-13-11(9-21-1-5-23-6-2-21)14(18)16(20)12(15(13)19)10-22-3-7-24-8-4-22/h1-10H2
InChIKey
DKKDOKUKTDDOHB-UHFFFAOYSA-N
Compound name
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0279 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.03518 193.3
[M+Na]+ 435.01712 198.7
[M-H]- 411.02062 195.8
[M+NH4]+ 430.06172 199.5
[M+K]+ 450.99106 194.9
[M+H-H2O]+ 395.02516 183.9
[M+HCOO]- 457.02610 184.7
[M+CH3COO]- 471.04175 198.9
[M+Na-2H]- 433.00257 189.9
[M]+ 412.02735 191.4
[M]- 412.02845 191.4
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.