CID 63477

4(3h)-quinazolinone, 7-fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C16H10F4N2O
SMILES
CC1=NC2=C(C=CC(=C2)F)C(=O)N1C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H10F4N2O/c1-9-21-14-8-11(17)5-6-13(14)15(23)22(9)12-4-2-3-10(7-12)16(18,19)20/h2-8H,1H3
InChIKey
XPQAEWDYQFVIEO-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.07294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08022 171.8
[M+Na]+ 345.06216 184.6
[M-H]- 321.06566 172.7
[M+NH4]+ 340.10676 184.9
[M+K]+ 361.03610 177.4
[M+H-H2O]+ 305.07020 159.3
[M+HCOO]- 367.07114 186.8
[M+CH3COO]- 381.08679 208.8
[M+Na-2H]- 343.04761 176.2
[M]+ 322.07239 168.9
[M]- 322.07349 168.9
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

No patent data available for this compound.