CID 20187472

Methyl 4-chlorocinnoline-3-carboxylate

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
COC(=O)C1=C(C2=CC=CC=C2N=N1)Cl
InChI
InChI=1S/C10H7ClN2O2/c1-15-10(14)9-8(11)6-4-2-3-5-7(6)12-13-9/h2-5H,1H3
InChIKey
PMXSNEURQGNVGW-UHFFFAOYSA-N
Compound name
methyl 4-chlorocinnoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

222.0196 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.026876 142.3
[M+Na]+ 245.008818 153.3
[M-H]- 221.012324 144.5
[M+NH4]+ 240.053423 160.1
[M+K]+ 260.982758 149.3
[M+H-H2O]+ 205.016860 135.4
[M+HCOO]- 267.017801 158.8
[M+CH3COO]- 281.033451 186.6
[M+Na-2H]- 242.994266 150.3
[M]+ 222.01905142 146.6
[M]- 222.02014858 146.6
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