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

4
Patents

221.91956 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.926836 129.7
[M+Na]+ 244.908778 144.1
[M-H]- 220.912284 132.7
[M+NH4]+ 239.953383 149.8
[M+K]+ 260.882718 131.6
[M+H-H2O]+ 204.916820 130.2
[M+HCOO]- 266.917761 145.0
[M+CH3COO]- 280.933411 180.8
[M+Na-2H]- 242.894226 139.1
[M]+ 221.91901142 149.8
[M]- 221.92010858 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

patents stripe