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

3
Patents

518.1153 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.122576 222.9
[M+Na]+ 541.104518 228.2
[M-H]- 517.108024 230.3
[M+NH4]+ 536.149123 234.5
[M+K]+ 557.078458 221.4
[M+H-H2O]+ 501.112560 214.8
[M+HCOO]- 563.113501 233.0
[M+CH3COO]- 577.129151 245.3
[M+Na-2H]- 539.089966 217.2
[M]+ 518.11475142 229.3
[M]- 518.11584858 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.