CID 84789340

(5-bromo-2-chloropyrimidin-4-yl)methanol

Structural Information

Molecular Formula
C5H4BrClN2O
SMILES
C1=C(C(=NC(=N1)Cl)CO)Br
InChI
InChI=1S/C5H4BrClN2O/c6-3-1-8-5(7)9-4(3)2-10/h1,10H,2H2
InChIKey
WXVPZWWUFMDLML-UHFFFAOYSA-N
Compound name
(5-bromo-2-chloropyrimidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.91956 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92684 129.7
[M+Na]+ 244.90878 144.1
[M-H]- 220.91228 132.7
[M+NH4]+ 239.95338 149.8
[M+K]+ 260.88272 131.6
[M+H-H2O]+ 204.91682 130.2
[M+HCOO]- 266.91776 145.0
[M+CH3COO]- 280.93341 180.8
[M+Na-2H]- 242.89423 139.1
[M]+ 221.91901 149.8
[M]- 221.92011 149.8
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.