CID 45050965

Bis(3,5-dibromo-4-pyridinyl)methanol

Structural Information

Molecular Formula
C11H6Br4N2O
SMILES
C1=C(C(=C(C=N1)Br)C(C2=C(C=NC=C2Br)Br)O)Br
InChI
InChI=1S/C11H6Br4N2O/c12-5-1-16-2-6(13)9(5)11(18)10-7(14)3-17-4-8(10)15/h1-4,11,18H
InChIKey
GAELNYIRQULGGV-UHFFFAOYSA-N
Compound name
bis(3,5-dibromopyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.72137 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.72865 150.1
[M+Na]+ 520.71059 155.8
[M-H]- 496.71409 154.1
[M+NH4]+ 515.75519 158.6
[M+K]+ 536.68453 143.4
[M+H-H2O]+ 480.71863 168.7
[M+HCOO]- 542.71957 154.9
[M+CH3COO]- 556.73522 157.5
[M+Na-2H]- 518.69604 153.0
[M]+ 497.72082 188.9
[M]- 497.72192 188.9
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.