CID 10609358

4-chloro-7-fluoro-6-nitroquinazoline

Structural Information

Molecular Formula
C8H3ClFN3O2
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CN=C2Cl
InChI
InChI=1S/C8H3ClFN3O2/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8/h1-3H
InChIKey
UYQMNEZWVKRWMS-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoro-6-nitroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

381
Patents

226.98978 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99706 139.2
[M+Na]+ 249.97900 150.1
[M-H]- 225.98250 140.3
[M+NH4]+ 245.02360 156.0
[M+K]+ 265.95294 141.7
[M+H-H2O]+ 209.98704 136.3
[M+HCOO]- 271.98798 156.7
[M+CH3COO]- 286.00363 182.5
[M+Na-2H]- 247.96445 149.3
[M]+ 226.98923 139.4
[M]- 226.99033 139.4
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