CID 2324362

2-(2,3,4-trichlorophenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H8Cl3NO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C(=C(C=C3)Cl)Cl)Cl)C(=O)O
InChI
InChI=1S/C16H8Cl3NO2/c17-11-6-5-9(14(18)15(11)19)13-7-10(16(21)22)8-3-1-2-4-12(8)20-13/h1-7H,(H,21,22)
InChIKey
SCKITHFBZAOYKO-UHFFFAOYSA-N
Compound name
2-(2,3,4-trichlorophenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.96207 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.96935 169.7
[M+Na]+ 373.95129 181.7
[M-H]- 349.95479 173.5
[M+NH4]+ 368.99589 183.6
[M+K]+ 389.92523 174.0
[M+H-H2O]+ 333.95933 163.7
[M+HCOO]- 395.96027 174.8
[M+CH3COO]- 409.97592 180.4
[M+Na-2H]- 371.93674 172.5
[M]+ 350.96152 174.4
[M]- 350.96262 174.4
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.