CID 86729935

4-chlorobenzo[h]quinazoline

Structural Information

Molecular Formula
C12H7ClN2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=CN=C3Cl
InChI
InChI=1S/C12H7ClN2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)14-7-15-12/h1-7H
InChIKey
GOPUDVUYTKXDOR-UHFFFAOYSA-N
Compound name
4-chlorobenzo[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

214.02977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03705 140.9
[M+Na]+ 237.01899 153.6
[M-H]- 213.02249 144.0
[M+NH4]+ 232.06359 160.1
[M+K]+ 252.99293 147.1
[M+H-H2O]+ 197.02703 133.3
[M+HCOO]- 259.02797 158.2
[M+CH3COO]- 273.04362 154.6
[M+Na-2H]- 235.00444 153.0
[M]+ 214.02922 144.6
[M]- 214.03032 144.6
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