CID 135454069

2-(tribromomethyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C9H5Br3N2O
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C(Br)(Br)Br
InChI
InChI=1S/C9H5Br3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15)
InChIKey
UFVGPWKNCAAUJU-UHFFFAOYSA-N
Compound name
2-(tribromomethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

393.7952 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.80248 141.4
[M+Na]+ 416.78442 149.7
[M-H]- 392.78792 145.6
[M+NH4]+ 411.82902 154.5
[M+K]+ 432.75836 134.7
[M+H-H2O]+ 376.79246 157.2
[M+HCOO]- 438.79340 149.3
[M+CH3COO]- 452.80905 220.9
[M+Na-2H]- 414.76987 149.2
[M]+ 393.79465 182.0
[M]- 393.79575 182.0
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

patents stripe