CID 4501611

7-bromo-2-phenylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H10BrNO2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=C2)C(=O)O
InChI
InChI=1S/C16H10BrNO2/c17-11-6-7-12-13(16(19)20)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKey
GXTQJUJLORLFDN-UHFFFAOYSA-N
Compound name
7-bromo-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

326.9895 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.996776 165.6
[M+Na]+ 349.978718 177.1
[M-H]- 325.982224 173.3
[M+NH4]+ 345.023323 182.3
[M+K]+ 365.952658 164.7
[M+H-H2O]+ 309.986760 164.2
[M+HCOO]- 371.987701 183.4
[M+CH3COO]- 386.003351 178.8
[M+Na-2H]- 347.964166 172.6
[M]+ 326.98895142 184.0
[M]- 326.99004858 184.0
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

patents stripe