CID 3025229

102305-58-8

Structural Information

Molecular Formula
C8H15Br4O4P
SMILES
CC(C)OP(=O)(OC(C)C)OC(C(Br)(Br)Br)Br
InChI
InChI=1S/C8H15Br4O4P/c1-5(2)14-17(13,15-6(3)4)16-7(9)8(10,11)12/h5-7H,1-4H3
InChIKey
SAMIPGLXUYFKNP-UHFFFAOYSA-N
Compound name
dipropan-2-yl 1,2,2,2-tetrabromoethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.74414 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.75142 189.5
[M+Na]+ 544.73336 195.0
[M-H]- 520.73686 191.7
[M+NH4]+ 539.77796 198.3
[M+K]+ 560.70730 180.8
[M+H-H2O]+ 504.74140 204.9
[M+HCOO]- 566.74234 193.7
[M+CH3COO]- 580.75799 240.5
[M+Na-2H]- 542.71881 187.4
[M]+ 521.74359 228.1
[M]- 521.74469 228.1
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.