CID 3006906

1-[2,4-bis(2,4-dichlorophenyl)butyl]imidazole

Structural Information

Molecular Formula
C19H16Cl4N2
SMILES
C1=CC(=C(C=C1Cl)Cl)CCC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H16Cl4N2/c20-15-4-3-13(18(22)9-15)1-2-14(11-25-8-7-24-12-25)17-6-5-16(21)10-19(17)23/h3-10,12,14H,1-2,11H2
InChIKey
RNLYYCOORPJAEP-UHFFFAOYSA-N
Compound name
1-[2,4-bis(2,4-dichlorophenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

412.00674 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.01402 192.0
[M+Na]+ 434.99596 201.0
[M-H]- 410.99946 194.7
[M+NH4]+ 430.04056 202.6
[M+K]+ 450.96990 192.5
[M+H-H2O]+ 395.00400 182.4
[M+HCOO]- 457.00494 191.6
[M+CH3COO]- 471.02059 199.5
[M+Na-2H]- 432.98141 188.8
[M]+ 412.00619 195.3
[M]- 412.00729 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe