CID 820135

2-phenylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)C=O
InChI
InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
InChIKey
AUTGLFSBJLERMV-UHFFFAOYSA-N
Compound name
2-phenylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

97
Patents

184.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 137.2
[M+Na]+ 207.052878 146.5
[M-H]- 183.056384 141.5
[M+NH4]+ 202.097483 154.1
[M+K]+ 223.026818 142.7
[M+H-H2O]+ 167.060920 128.7
[M+HCOO]- 229.061861 160.4
[M+CH3COO]- 243.077511 150.7
[M+Na-2H]- 205.038326 146.4
[M]+ 184.06311142 137.3
[M]- 184.06420858 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

literature stripe

Patent stripe

patents stripe