CID 84018641

4-chloro-3h-pyrrolo[2,3-c]quinoline-1-carboxylic acid

Structural Information

Molecular Formula
C12H7ClN2O2
SMILES
C1=CC=C2C(=C1)C3=C(C(=N2)Cl)NC=C3C(=O)O
InChI
InChI=1S/C12H7ClN2O2/c13-11-10-9(7(5-14-10)12(16)17)6-3-1-2-4-8(6)15-11/h1-5,14H,(H,16,17)
InChIKey
JCQZLXHYPRMLAO-UHFFFAOYSA-N
Compound name
4-chloro-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0196 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.026876 149.1
[M+Na]+ 269.008818 161.6
[M-H]- 245.012324 150.5
[M+NH4]+ 264.053423 167.6
[M+K]+ 284.982758 154.8
[M+H-H2O]+ 229.016860 143.2
[M+HCOO]- 291.017801 163.9
[M+CH3COO]- 305.033451 161.8
[M+Na-2H]- 266.994266 155.6
[M]+ 246.01905142 152.1
[M]- 246.02014858 152.1
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.