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

80
Patents

185.94289 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95017 123.5
[M+Na]+ 208.93211 137.0
[M-H]- 184.93561 127.8
[M+NH4]+ 203.97671 144.5
[M+K]+ 224.90605 126.8
[M+H-H2O]+ 168.94015 123.3
[M+HCOO]- 230.94109 144.9
[M+CH3COO]- 244.95674 177.8
[M+Na-2H]- 206.91756 134.5
[M]+ 185.94234 142.8
[M]- 185.94344 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