CID 80977

4-chloro-2-phenylquinazoline

Structural Information

Molecular Formula
C14H9ClN2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)Cl
InChI
InChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H
InChIKey
OBHKONRNYCDRKM-UHFFFAOYSA-N
Compound name
4-chloro-2-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

761
Patents

240.04543 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.052706 150.4
[M+Na]+ 263.034648 161.2
[M-H]- 239.038154 155.2
[M+NH4]+ 258.079253 167.0
[M+K]+ 279.008588 154.3
[M+H-H2O]+ 223.042690 141.6
[M+HCOO]- 285.043631 167.1
[M+CH3COO]- 299.059281 163.0
[M+Na-2H]- 261.020096 159.7
[M]+ 240.04488142 152.0
[M]- 240.04597858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe