CID 3025228

Phosphoric acid, diisobutyl 1,2,2,2-tetrabromoethyl ester

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]+ 550.782726 194.3
[M+Na]+ 572.764668 199.5
[M-H]- 548.768174 196.3
[M+NH4]+ 567.809273 202.8
[M+K]+ 588.738608 185.1
[M+H-H2O]+ 532.772710 209.5
[M+HCOO]- 594.773651 198.2
[M+CH3COO]- 608.789301 242.4
[M+Na-2H]- 570.750116 191.6
[M]+ 549.77490142 233.1
[M]- 549.77599858 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.