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]+ 323.080216 171.8
[M+Na]+ 345.062158 184.6
[M-H]- 321.065664 172.7
[M+NH4]+ 340.106763 184.9
[M+K]+ 361.036098 177.4
[M+H-H2O]+ 305.070200 159.3
[M+HCOO]- 367.071141 186.8
[M+CH3COO]- 381.086791 208.8
[M+Na-2H]- 343.047606 176.2
[M]+ 322.07239142 168.9
[M]- 322.07348858 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.