CID 11814078

126949-60-8

Structural Information

Molecular Formula
C24H34Cl2MoN2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo](=NC2=C(C=CC=C2C(C)C)C(C)C)(Cl)Cl
InChI
InChI=1S/2C12H17N.2ClH.Mo/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9H,1-4H3;2*1H;/q;;;;+2/p-2
InChIKey
OFEYGPIXSLUEIE-UHFFFAOYSA-L
Compound name
dichloro-bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.1153 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.12258 222.9
[M+Na]+ 541.10452 228.2
[M-H]- 517.10802 230.3
[M+NH4]+ 536.14912 234.5
[M+K]+ 557.07846 221.4
[M+H-H2O]+ 501.11256 214.8
[M+HCOO]- 563.11350 233.0
[M+CH3COO]- 577.12915 245.3
[M+Na-2H]- 539.08997 217.2
[M]+ 518.11475 229.3
[M]- 518.11585 229.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.