CID 109272

68298-31-7

Structural Information

Molecular Formula
C36H71Br4O4P
SMILES
CCCCCCCCC(C(CCCCCCCCOP(=O)(O)OCCCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br
InChI
InChI=1S/C36H71Br4O4P/c1-3-5-7-9-15-21-27-33(37)35(39)29-23-17-11-13-19-25-31-43-45(41,42)44-32-26-20-14-12-18-24-30-36(40)34(38)28-22-16-10-8-6-4-2/h33-36H,3-32H2,1-2H3,(H,41,42)
InChIKey
GDKGEORXADBULN-UHFFFAOYSA-N
Compound name
bis(9,10-dibromooctadecyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

914.1824 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 915.18968 347.6
[M+Na]+ 937.17162 348.9
[M-H]- 913.17512 343.2
[M+NH4]+ 932.21622 349.4
[M+K]+ 953.14556 350.6
[M+H-H2O]+ 897.17966 344.6
[M+HCOO]- 959.18060 346.8
[M+CH3COO]- 973.19625 265.0
[M+Na-2H]- 935.15707 340.0
[M]+ 914.18185 345.1
[M]- 914.18295 345.1
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.