CID 63792

56287-73-1

Structural Information

Molecular Formula
C16H12FN3O3
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CF
InChI
InChI=1S/C16H12FN3O3/c1-10-4-2-3-5-14(10)19-15(9-17)18-13-7-6-11(20(22)23)8-12(13)16(19)21/h2-8H,9H2,1H3
InChIKey
YLWBZTIVGRUKCL-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)-3-(2-methylphenyl)-6-nitroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

313.08627 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09355 166.3
[M+Na]+ 336.07549 182.9
[M+NH4]+ 331.12009 173.3
[M+K]+ 352.04943 177.8
[M-H]- 312.07899 170.3
[M+Na-2H]- 334.06094 174.3
[M]+ 313.08572 169.7
[M]- 313.08682 169.7
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