CID 63480

Brn 0830237

Structural Information

Molecular Formula
C16H11Cl2FN2O
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CF
InChI
InChI=1S/C16H11Cl2FN2O/c1-9-7-10(17)5-6-13(9)21-14(8-19)20-12-4-2-3-11(18)15(12)16(21)22/h2-7H,8H2,1H3
InChIKey
WXTYULHXNBOFOX-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.02325 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03053 170.9
[M+Na]+ 359.01247 184.8
[M-H]- 335.01597 174.6
[M+NH4]+ 354.05707 185.1
[M+K]+ 374.98641 176.4
[M+H-H2O]+ 319.02051 161.8
[M+HCOO]- 381.02145 181.0
[M+CH3COO]- 395.03710 182.4
[M+Na-2H]- 356.99792 174.6
[M]+ 336.02270 175.8
[M]- 336.02380 175.8
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

No patent data available for this compound.