CID 135682060

7-bromo-2-(chloromethyl)quinazolin-4-ol

Structural Information

Molecular Formula
C9H6BrClN2O
SMILES
C1=CC2=C(C=C1Br)N=C(NC2=O)CCl
InChI
InChI=1S/C9H6BrClN2O/c10-5-1-2-6-7(3-5)12-8(4-11)13-9(6)14/h1-3H,4H2,(H,12,13,14)
InChIKey
RNXMDEGFONRARD-UHFFFAOYSA-N
Compound name
7-bromo-2-(chloromethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

271.9352 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94248 143.2
[M+Na]+ 294.92442 158.3
[M-H]- 270.92792 147.1
[M+NH4]+ 289.96902 162.5
[M+K]+ 310.89836 144.3
[M+H-H2O]+ 254.93246 143.5
[M+HCOO]- 316.93340 157.2
[M+CH3COO]- 330.94905 158.0
[M+Na-2H]- 292.90987 152.7
[M]+ 271.93465 163.5
[M]- 271.93575 163.5
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