CID 56842887

Einecs 287-855-5

Structural Information

Molecular Formula
C51H70O8P2
SMILES
CC(C)(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC(=C(C=C6)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C51H70O8P2/c1-45(2,3)37-25-33(17-21-41(37)52)49(13,14)35-19-23-43(39(27-35)47(7,8)9)58-60-54-29-51(30-55-60)31-56-61(57-32-51)59-44-24-20-36(28-40(44)48(10,11)12)50(15,16)34-18-22-42(53)38(26-34)46(4,5)6/h17-28,52-53H,29-32H2,1-16H3
InChIKey
VGKAMLULXGIVHV-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-[2-[3-tert-butyl-4-[[3-[2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-9-yl]oxy]phenyl]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

872.4546 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.46188 285.6
[M+Na]+ 895.44382 297.2
[M-H]- 871.44732 291.0
[M+NH4]+ 890.48842 290.8
[M+K]+ 911.41776 280.5
[M+H-H2O]+ 855.45186 292.2
[M+HCOO]- 917.45280 291.8
[M+CH3COO]- 931.46845 310.7
[M+Na-2H]- 893.42927 307.4
[M]+ 872.45405 303.9
[M]- 872.45515 303.9
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.