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 161.6
[M-H]- 245.01232 150.5
[M+NH4]+ 264.05342 167.6
[M+K]+ 284.98276 154.8
[M+H-H2O]+ 229.01686 143.2
[M+HCOO]- 291.01780 163.9
[M+CH3COO]- 305.03345 161.8
[M+Na-2H]- 266.99427 155.6
[M]+ 246.01905 152.1
[M]- 246.02015 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.