CID 1132009

7-chloro-1h,2h,3h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula
C13H10ClNO2
SMILES
C1CC2=C(C3=C(C=CC(=C3)Cl)N=C2C1)C(=O)O
InChI
InChI=1S/C13H10ClNO2/c14-7-4-5-11-9(6-7)12(13(16)17)8-2-1-3-10(8)15-11/h4-6H,1-3H2,(H,16,17)
InChIKey
BRXPKYDOKVSIJG-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

247.04001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04729 151.7
[M+Na]+ 270.02923 162.2
[M-H]- 246.03273 154.9
[M+NH4]+ 265.07383 172.1
[M+K]+ 286.00317 156.3
[M+H-H2O]+ 230.03727 146.3
[M+HCOO]- 292.03821 166.1
[M+CH3COO]- 306.05386 164.3
[M+Na-2H]- 268.01468 156.1
[M]+ 247.03946 153.4
[M]- 247.04056 153.4
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

No patent data available for this compound.