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
1
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]+ 998.55293 302.0
[M+Na]+ 1020.5349 302.5
[M-H]- 996.53837 302.3
[M+NH4]+ 1015.5795 302.3
[M+K]+ 1036.5088 301.9
[M+H-H2O]+ 980.54291 301.8
[M+HCOO]- 1042.5439 302.5
[M+CH3COO]- 1056.5595 256.8
[M+Na-2H]- 1018.5203 303.6
[M]+ 997.54510 302.8
[M]- 997.54620 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.