CID 14778864

7046-64-2

Structural Information

Molecular Formula
C18H6Br9O4P
SMILES
C1=C(C=C(C(=C1Br)OP(=O)(OC2=C(C=C(C=C2Br)Br)Br)OC3=C(C=C(C=C3Br)Br)Br)Br)Br
InChI
InChI=1S/C18H6Br9O4P/c19-7-1-10(22)16(11(23)2-7)29-32(28,30-17-12(24)3-8(20)4-13(17)25)31-18-14(26)5-9(21)6-15(18)27/h1-6H
InChIKey
RMXMITCPGRBNAS-UHFFFAOYSA-N
Compound name
tris(2,4,6-tribromophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

518
Patents

1027.2654 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1028.2727 159.5
[M+Na]+ 1050.2546 167.4
[M-H]- 1026.2581 162.3
[M+NH4]+ 1045.2992 162.2
[M+K]+ 1066.2286 161.2
[M+H-H2O]+ 1010.2627 162.9
[M+HCOO]- 1072.2636 161.1
[M+CH3COO]- 1086.2793 254.3
[M+Na-2H]- 1048.2401 157.6
[M]+ 1027.2649 163.4
[M]- 1027.2659 163.4
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