CID 91998066

Dtxsid80887477

Structural Information

Molecular Formula
C12H23BBr4O5
SMILES
B(O)(O)OCC(CC)(COCC(CBr)Br)COCC(CBr)Br
InChI
InChI=1S/C12H23BBr4O5/c1-2-12(9-22-13(18)19,7-20-5-10(16)3-14)8-21-6-11(17)4-15/h10-11,18-19H,2-9H2,1H3
InChIKey
QHVYKDQFUXNLCB-UHFFFAOYSA-N
Compound name
2,2-bis(2,3-dibromopropoxymethyl)butoxyboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.8372 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.84448 180.6
[M+Na]+ 596.82642 184.1
[M-H]- 572.82992 181.5
[M+NH4]+ 591.87102 187.8
[M+K]+ 612.80036 169.7
[M+H-H2O]+ 556.83446 196.2
[M+HCOO]- 618.83540 182.4
[M+CH3COO]- 632.85105 242.1
[M+Na-2H]- 594.81187 179.1
[M]+ 573.83665 219.1
[M]- 573.83775 219.1
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.