CID 71310802

852445-81-9

Structural Information

Molecular Formula
C21H24AuClN2
SMILES
CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Au]Cl)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C21H24N2.Au.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;;1H/q;+1;/p-1
InChIKey
YFUIKJIITPMUAT-UHFFFAOYSA-M
Compound name
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

536.1294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.13668 222.4
[M+Na]+ 559.11862 233.6
[M-H]- 535.12212 229.3
[M+NH4]+ 554.16322 234.8
[M+K]+ 575.09256 223.8
[M+H-H2O]+ 519.12666 211.5
[M+HCOO]- 581.12760 236.7
[M+CH3COO]- 595.14325 225.7
[M+Na-2H]- 557.10407 215.4
[M]+ 536.12885 227.8
[M]- 536.12995 227.8
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