CID 52987579

Ethyl 5-bromopyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CCOC(=O)C1=NC=C(C=N1)Br
InChI
InChI=1S/C7H7BrN2O2/c1-2-12-7(11)6-9-3-5(8)4-10-6/h3-4H,2H2,1H3
InChIKey
CZQFHUXIWZYQGP-UHFFFAOYSA-N
Compound name
ethyl 5-bromopyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

229.96909 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 135.9
[M+Na]+ 252.958308 148.2
[M-H]- 228.961814 140.0
[M+NH4]+ 248.002913 155.2
[M+K]+ 268.932248 138.4
[M+H-H2O]+ 212.966350 135.1
[M+HCOO]- 274.967291 155.9
[M+CH3COO]- 288.982941 185.5
[M+Na-2H]- 250.943756 144.6
[M]+ 229.96854142 156.6
[M]- 229.96963858 156.6
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