CID 10640649

162012-67-1

Structural Information

Molecular Formula
C14H7ClF2N4O2
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)F
InChI
InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChIKey
CJOJDNRJDBWZKM-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

336.02255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02983 168.5
[M+Na]+ 359.01177 178.5
[M-H]- 335.01527 171.3
[M+NH4]+ 354.05637 180.2
[M+K]+ 374.98571 167.6
[M+H-H2O]+ 319.01981 162.3
[M+HCOO]- 381.02075 184.9
[M+CH3COO]- 395.03640 206.2
[M+Na-2H]- 356.99722 176.5
[M]+ 336.02200 167.5
[M]- 336.02310 167.5
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