CID 99770952

1191451-23-6

Structural Information

Molecular Formula
C32H17F4O4P
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)F)F)OP(=O)(O3)O)C7=CC(=CC(=C7)F)F
InChI
InChI=1S/C32H17F4O4P/c33-21-9-19(10-22(34)15-21)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35)16-24(36)12-20)32(30)40-41(37,38)39-31(27)29/h1-16H,(H,37,38)
InChIKey
FMGXESOBLCQWCH-UHFFFAOYSA-N
Compound name
10,16-bis(3,5-difluorophenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.0801 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.08738 242.8
[M+Na]+ 595.06932 255.6
[M-H]- 571.07282 252.3
[M+NH4]+ 590.11392 249.4
[M+K]+ 611.04326 253.8
[M+H-H2O]+ 555.07736 226.8
[M+HCOO]- 617.07830 257.0
[M+CH3COO]- 631.09395 249.4
[M+Na-2H]- 593.05477 240.5
[M]+ 572.07955 241.2
[M]- 572.08065 241.2
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

No patent data available for this compound.