CID 12703722

4-(pyrimidin-2-yl)benzaldehyde

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H8N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-8H
InChIKey
JUYLMPWKVWDXBE-UHFFFAOYSA-N
Compound name
4-pyrimidin-2-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

184.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 137.2
[M+Na]+ 207.05288 146.5
[M-H]- 183.05638 141.5
[M+NH4]+ 202.09748 154.1
[M+K]+ 223.02682 142.7
[M+H-H2O]+ 167.06092 128.7
[M+HCOO]- 229.06186 160.4
[M+CH3COO]- 243.07751 150.7
[M+Na-2H]- 205.03833 146.4
[M]+ 184.06311 137.3
[M]- 184.06421 137.3
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