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]+ 247.02688 149.1
[M+Na]+ 269.00882 164.5
[M+NH4]+ 264.05342 157.6
[M+K]+ 284.98276 159.3
[M-H]- 245.01232 150.1
[M+Na-2H]- 266.99427 154.9
[M]+ 246.01905 151.8
[M]- 246.02015 151.8
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.

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No patent data available for this compound.