CID 236182

4-chloro-6,7-dimethoxycinnoline

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C2C(=C1)C(=CN=N2)Cl)OC
InChI
InChI=1S/C10H9ClN2O2/c1-14-9-3-6-7(11)5-12-13-8(6)4-10(9)15-2/h3-5H,1-2H3
InChIKey
JVGQUQXHEOMDOS-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dimethoxycinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

224.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 143.5
[M+Na]+ 247.02447 155.4
[M-H]- 223.02797 145.9
[M+NH4]+ 242.06907 161.6
[M+K]+ 262.99841 151.5
[M+H-H2O]+ 207.03251 136.5
[M+HCOO]- 269.03345 160.7
[M+CH3COO]- 283.04910 188.4
[M+Na-2H]- 245.00992 151.9
[M]+ 224.03470 149.5
[M]- 224.03580 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe