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

29
Patents

218.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03197 143.0
[M+Na]+ 241.01391 153.8
[M-H]- 217.01741 147.2
[M+NH4]+ 236.05851 159.6
[M+K]+ 256.98785 148.4
[M+H-H2O]+ 201.02195 135.0
[M+HCOO]- 263.02289 161.4
[M+CH3COO]- 277.03854 156.3
[M+Na-2H]- 238.99936 150.9
[M]+ 218.02414 145.5
[M]- 218.02524 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