CID 64078

4(3h)-quinazolinone, 3-(4-bromo-2-trifluoromethylphenyl)-2-methyl-

Structural Information

Molecular Formula
C16H10BrF3N2O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Br)C(F)(F)F
InChI
InChI=1S/C16H10BrF3N2O/c1-9-21-13-5-3-2-4-11(13)15(23)22(9)14-7-6-10(17)8-12(14)16(18,19)20/h2-8H,1H3
InChIKey
HHTMAJKSXPMTHF-UHFFFAOYSA-N
Compound name
3-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.99286 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00014 181.4
[M+Na]+ 404.98208 196.1
[M-H]- 380.98558 186.1
[M+NH4]+ 400.02668 196.0
[M+K]+ 420.95602 182.1
[M+H-H2O]+ 364.99012 176.9
[M+HCOO]- 426.99106 195.4
[M+CH3COO]- 441.00671 214.2
[M+Na-2H]- 402.96753 186.9
[M]+ 381.99231 198.2
[M]- 381.99341 198.2
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.