CID 16686082

151841-65-5

Structural Information

Molecular Formula
C58H84AlO8P2
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)O[Al]OP4(=O)OC5=C(CC6=C(O4)C(=CC(=C6)C(C)(C)C)C(C)(C)C)C=C(C=C5C(C)(C)C)C(C)(C)C
InChI
InChI=1S/2C29H43O4P.Al/c2*1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h2*14-17H,13H2,1-12H3,(H,30,31);/q;;+2/p-2
InChIKey
PZMMSHGIYMSGGT-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

997.54565 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 998.552926 302.0
[M+Na]+ 1020.534868 302.5
[M-H]- 996.538374 302.3
[M+NH4]+ 1015.579473 302.3
[M+K]+ 1036.508808 301.9
[M+H-H2O]+ 980.542910 301.8
[M+HCOO]- 1042.543851 302.5
[M+CH3COO]- 1056.559501 256.8
[M+Na-2H]- 1018.520316 303.6
[M]+ 997.54510142 302.8
[M]- 997.54619858 302.8
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.