CID 20523493

Schembl2929158

Structural Information

Molecular Formula
C28H41O3P
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C28H41O3P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)31-32(29)30-23(19)21(15-17)27(7,8)9/h13-16,29H,1-12H3
InChIKey
UESGEYFCYSJZSZ-UHFFFAOYSA-N
Compound name
2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

515
Patents

456.27933 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28661 219.0
[M+Na]+ 479.26855 226.3
[M-H]- 455.27205 225.5
[M+NH4]+ 474.31315 228.6
[M+K]+ 495.24249 230.2
[M+H-H2O]+ 439.27659 212.6
[M+HCOO]- 501.27753 233.5
[M+CH3COO]- 515.29318 238.9
[M+Na-2H]- 477.25400 222.2
[M]+ 456.27878 225.2
[M]- 456.27988 225.2
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

patents stripe