CID 17606334

2-(4-chlorophenyl)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C11H7ClN2O
SMILES
C1=CC(=CC=C1C2=NC=C(C=N2)C=O)Cl
InChI
InChI=1S/C11H7ClN2O/c12-10-3-1-9(2-4-10)11-13-5-8(7-15)6-14-11/h1-7H
InChIKey
BUGWBANLAMFQAX-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

218.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.031966 143.0
[M+Na]+ 241.013908 153.8
[M-H]- 217.017414 147.2
[M+NH4]+ 236.058513 159.6
[M+K]+ 256.987848 148.4
[M+H-H2O]+ 201.021950 135.0
[M+HCOO]- 263.022891 161.4
[M+CH3COO]- 277.038541 156.3
[M+Na-2H]- 238.999356 150.9
[M]+ 218.02414142 145.5
[M]- 218.02523858 145.5
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