CID 175685705

Bis(3,4-dibromobutyl) hydrogen phosphate

Structural Information

Molecular Formula
C8H15Br4O4P
SMILES
C(COP(=O)(O)OCCC(CBr)Br)C(CBr)Br
InChI
InChI=1S/C8H15Br4O4P/c9-5-7(11)1-3-15-17(13,14)16-4-2-8(12)6-10/h7-8H,1-6H2,(H,13,14)
InChIKey
PZNBPQPLARTAHU-UHFFFAOYSA-N
Compound name
bis(3,4-dibromobutyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.74414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.75142 182.8
[M+Na]+ 544.73336 188.0
[M-H]- 520.73686 184.4
[M+NH4]+ 539.77796 191.4
[M+K]+ 560.70730 173.3
[M+H-H2O]+ 504.74140 198.2
[M+HCOO]- 566.74234 187.5
[M+CH3COO]- 580.75799 239.5
[M+Na-2H]- 542.71881 181.1
[M]+ 521.74359 221.5
[M]- 521.74469 221.5
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.