CID 53338759

Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold(i)

Structural Information

Molecular Formula
C27H36AuClN2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN(C2=[Au]Cl)C3=C(C=CC=C3C(C)C)C(C)C
InChI
InChI=1S/C27H36N2.Au.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;/h9-16,18-21H,1-8H3;;1H/q;+1;/p-1
InChIKey
CNJQLSINQGKZAW-UHFFFAOYSA-M
Compound name
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chlorogold
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

620.22327 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.23055 245.2
[M+Na]+ 643.21249 250.7
[M-H]- 619.21599 250.9
[M+NH4]+ 638.25709 253.3
[M+K]+ 659.18643 241.8
[M+H-H2O]+ 603.22053 233.7
[M+HCOO]- 665.22147 253.7
[M+CH3COO]- 679.23712 243.9
[M+Na-2H]- 641.19794 232.6
[M]+ 620.22272 249.8
[M]- 620.22382 249.8
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