CID 104782230

1564969-50-1

Structural Information

Molecular Formula
C12H11ClN2
SMILES
C1CCC2=C(C1)C=CC3=C2N=CN=C3Cl
InChI
InChI=1S/C12H11ClN2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)14-7-15-12/h5-7H,1-4H2
InChIKey
FPGHYUIZVHQUQY-UHFFFAOYSA-N
Compound name
4-chloro-7,8,9,10-tetrahydrobenzo[h]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06108 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06836 144.7
[M+Na]+ 241.05030 154.2
[M-H]- 217.05380 146.7
[M+NH4]+ 236.09490 163.4
[M+K]+ 257.02424 148.3
[M+H-H2O]+ 201.05834 136.9
[M+HCOO]- 263.05928 157.7
[M+CH3COO]- 277.07493 156.7
[M+Na-2H]- 239.03575 153.6
[M]+ 218.06053 144.0
[M]- 218.06163 144.0
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

No patent data available for this compound.