CID 22911327

(3,5-dibromopyridin-4-yl)methanol

Structural Information

Molecular Formula
C6H5Br2NO
SMILES
C1=C(C(=C(C=N1)Br)CO)Br
InChI
InChI=1S/C6H5Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2
InChIKey
ZHNPEZCPMQFETF-UHFFFAOYSA-N
Compound name
(3,5-dibromopyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

264.87378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.88106 129.5
[M+Na]+ 287.86300 141.3
[M-H]- 263.86650 134.7
[M+NH4]+ 282.90760 148.5
[M+K]+ 303.83694 125.9
[M+H-H2O]+ 247.87104 137.9
[M+HCOO]- 309.87198 145.0
[M+CH3COO]- 323.88763 196.3
[M+Na-2H]- 285.84845 138.2
[M]+ 264.87323 163.3
[M]- 264.87433 163.3
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

patents stripe