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

44
Patents

218.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.031966 142.7
[M+Na]+ 241.013908 152.3
[M-H]- 217.017414 146.7
[M+NH4]+ 236.058513 158.9
[M+K]+ 256.987848 147.3
[M+H-H2O]+ 201.021950 134.6
[M+HCOO]- 263.022891 160.1
[M+CH3COO]- 277.038541 155.5
[M+Na-2H]- 238.999356 150.2
[M]+ 218.02414142 144.2
[M]- 218.02523858 144.2
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