CID 71463959

2-chloro-1,3-bis(2,6-diisopropylphenyl)-1h-imidazol-3-ium chloride

Structural Information

Molecular Formula
C27H36ClN2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36ClN2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3/q+1
InChIKey
FVYKSIXLALZAJO-UHFFFAOYSA-N
Compound name
2-chloro-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

423.2567 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.26398 208.6
[M+Na]+ 446.24592 215.2
[M-H]- 422.24942 215.9
[M+NH4]+ 441.29052 218.8
[M+K]+ 462.21986 202.8
[M+H-H2O]+ 406.25396 201.8
[M+HCOO]- 468.25490 218.9
[M+CH3COO]- 482.27055 228.4
[M+Na-2H]- 444.23137 202.6
[M]+ 423.25615 212.3
[M]- 423.25725 212.3
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