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

5
Patents

214.02977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.037046 140.9
[M+Na]+ 237.018988 153.6
[M-H]- 213.022494 144.0
[M+NH4]+ 232.063593 160.1
[M+K]+ 252.992928 147.1
[M+H-H2O]+ 197.027030 133.3
[M+HCOO]- 259.027971 158.2
[M+CH3COO]- 273.043621 154.6
[M+Na-2H]- 235.004436 153.0
[M]+ 214.02922142 144.6
[M]- 214.03031858 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