CID 31356

Tris(2,3-dibromopropyl) phosphate

Structural Information

Molecular Formula
C9H15Br6O4P
SMILES
C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br
InChI
InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
InChIKey
PQYJRMFWJJONBO-UHFFFAOYSA-N
Compound name
tris(2,3-dibromopropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

196
References

13474
Patents

691.5808 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.588076 197.3
[M+Na]+ 714.570018 206.8
[M-H]- 690.573524 200.5
[M+NH4]+ 709.614623 202.6
[M+K]+ 730.543958 195.1
[M+H-H2O]+ 674.578060 210.2
[M+HCOO]- 736.579001 199.4
[M+CH3COO]- 750.594651 252.0
[M+Na-2H]- 712.555466 193.7
[M]+ 691.58025142 218.0
[M]- 691.58134858 218.0
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