CID 75480598

2-bromopyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C5H3BrN2O
SMILES
C1=C(C=NC(=N1)Br)C=O
InChI
InChI=1S/C5H3BrN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
InChIKey
SYXSPPBOICULFV-UHFFFAOYSA-N
Compound name
2-bromopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

185.94289 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.950166 123.5
[M+Na]+ 208.932108 137.0
[M-H]- 184.935614 127.8
[M+NH4]+ 203.976713 144.5
[M+K]+ 224.906048 126.8
[M+H-H2O]+ 168.940150 123.3
[M+HCOO]- 230.941091 144.9
[M+CH3COO]- 244.956741 177.8
[M+Na-2H]- 206.917556 134.5
[M]+ 185.94234142 142.8
[M]- 185.94343858 142.8
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