CID 10632637

2-phenylpyrimidine-5-carbonyl chloride

Structural Information

Molecular Formula
C11H7ClN2O
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)Cl
InChI
InChI=1S/C11H7ClN2O/c12-10(15)9-6-13-11(14-7-9)8-4-2-1-3-5-8/h1-7H
InChIKey
ALJPJRINUUKTMA-UHFFFAOYSA-N
Compound name
2-phenylpyrimidine-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

218.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03197 143.8
[M+Na]+ 241.01391 160.4
[M+NH4]+ 236.05851 152.6
[M+K]+ 256.98785 152.4
[M-H]- 217.01741 147.5
[M+Na-2H]- 238.99936 154.5
[M]+ 218.02414 147.6
[M]- 218.02524 147.6
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