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

53
Patents

206.02469 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 140.8
[M+Na]+ 229.01391 157.7
[M+NH4]+ 224.05851 149.8
[M+K]+ 244.98785 149.7
[M-H]- 205.01741 144.4
[M+Na-2H]- 226.99936 151.3
[M]+ 206.02414 144.7
[M]- 206.02524 144.7
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