CID 86348

12h-dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-

Structural Information

Molecular Formula
C30H44FO2P
SMILES
CC1C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OP(OC3=C1C=C(C=C3C(C)(C)C)C(C)(C)C)F
InChI
InChI=1S/C30H44FO2P/c1-18-21-14-19(27(2,3)4)16-23(29(8,9)10)25(21)32-34(31)33-26-22(18)15-20(28(5,6)7)17-24(26)30(11,12)13/h14-18H,1-13H3
InChIKey
MYMKXVFDVQUQLG-UHFFFAOYSA-N
Compound name
1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7318
Patents

486.3063 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.31358 203.2
[M+Na]+ 509.29552 207.9
[M-H]- 485.29902 205.1
[M+NH4]+ 504.34012 207.4
[M+K]+ 525.26946 207.7
[M+H-H2O]+ 469.30356 197.5
[M+HCOO]- 531.30450 207.6
[M+CH3COO]- 545.32015 251.3
[M+Na-2H]- 507.28097 199.5
[M]+ 486.30575 205.1
[M]- 486.30685 205.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe