CID 3006863

1-[2-(2,6-dichlorophenyl)decyl]imidazole

Structural Information

Molecular Formula
C19H26Cl2N2
SMILES
CCCCCCCCC(CN1C=CN=C1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C19H26Cl2N2/c1-2-3-4-5-6-7-9-16(14-23-13-12-22-15-23)19-17(20)10-8-11-18(19)21/h8,10-13,15-16H,2-7,9,14H2,1H3
InChIKey
MQBDJFSBIHQSBL-UHFFFAOYSA-N
Compound name
1-[2-(2,6-dichlorophenyl)decyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

352.1473 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15458 186.0
[M+Na]+ 375.13652 193.0
[M-H]- 351.14002 188.0
[M+NH4]+ 370.18112 199.5
[M+K]+ 391.11046 185.0
[M+H-H2O]+ 335.14456 176.8
[M+HCOO]- 397.14550 195.7
[M+CH3COO]- 411.16115 213.0
[M+Na-2H]- 373.12197 184.6
[M]+ 352.14675 191.6
[M]- 352.14785 191.6
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