CID 24901880

3-(2-chloropyrimidin-4-yl)phenol

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC(=C1)O)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C10H7ClN2O/c11-10-12-5-4-9(13-10)7-2-1-3-8(14)6-7/h1-6,14H
InChIKey
FBHTXOQEDBGING-UHFFFAOYSA-N
Compound name
3-(2-chloropyrimidin-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

206.02469 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 139.7
[M+Na]+ 229.013908 150.3
[M-H]- 205.017414 142.8
[M+NH4]+ 224.058513 156.2
[M+K]+ 244.987848 144.8
[M+H-H2O]+ 189.021950 132.3
[M+HCOO]- 251.022891 156.8
[M+CH3COO]- 265.038541 152.8
[M+Na-2H]- 226.999356 147.7
[M]+ 206.02414142 140.7
[M]- 206.02523858 140.7
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