CID 269171

2-(2-chlorophenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H10ClNO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)O
InChI
InChI=1S/C16H10ClNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)
InChIKey
QBRGQUCIJZKQAY-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

283.04 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04728 160.2
[M+Na]+ 306.02922 170.4
[M-H]- 282.03272 165.6
[M+NH4]+ 301.07382 175.9
[M+K]+ 322.00316 163.8
[M+H-H2O]+ 266.03726 152.7
[M+HCOO]- 328.03820 175.9
[M+CH3COO]- 342.05385 172.2
[M+Na-2H]- 304.01467 166.3
[M]+ 283.03945 162.4
[M]- 283.04055 162.4
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

patents stripe