CID 3025228

Diisobutyl tetrabromaethyl phosphat [german]

Structural Information

Molecular Formula
C10H19Br4O4P
SMILES
CC(C)COP(=O)(OCC(C)C)OC(C(Br)(Br)Br)Br
InChI
InChI=1S/C10H19Br4O4P/c1-7(2)5-16-19(15,17-6-8(3)4)18-9(11)10(12,13)14/h7-9H,5-6H2,1-4H3
InChIKey
ZHBCVKHUPGTKRJ-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 1,2,2,2-tetrabromoethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.77545 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.78273 194.3
[M+Na]+ 572.76467 199.5
[M-H]- 548.76817 196.3
[M+NH4]+ 567.80927 202.8
[M+K]+ 588.73861 185.1
[M+H-H2O]+ 532.77271 209.5
[M+HCOO]- 594.77365 198.2
[M+CH3COO]- 608.78930 242.4
[M+Na-2H]- 570.75012 191.6
[M]+ 549.77490 233.1
[M]- 549.77600 233.1
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.