CID 14363916

3-chloro-5,6,7,8-tetrahydrocinnoline

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CCC2=NN=C(C=C2C1)Cl
InChI
InChI=1S/C8H9ClN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h5H,1-4H2
InChIKey
DTPZLIYQNKOBRP-UHFFFAOYSA-N
Compound name
3-chloro-5,6,7,8-tetrahydrocinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

168.04543 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 131.6
[M+Na]+ 191.034648 140.5
[M-H]- 167.038154 132.7
[M+NH4]+ 186.079253 151.3
[M+K]+ 207.008588 136.4
[M+H-H2O]+ 151.042690 124.7
[M+HCOO]- 213.043631 146.2
[M+CH3COO]- 227.059281 144.4
[M+Na-2H]- 189.020096 140.4
[M]+ 168.04488142 130.3
[M]- 168.04597858 130.3
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