CID 208775

33007-99-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

326.9895 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.99678 165.6
[M+Na]+ 349.97872 177.1
[M-H]- 325.98222 173.3
[M+NH4]+ 345.02332 182.3
[M+K]+ 365.95266 164.7
[M+H-H2O]+ 309.98676 164.2
[M+HCOO]- 371.98770 183.4
[M+CH3COO]- 386.00335 178.8
[M+Na-2H]- 347.96417 172.6
[M]+ 326.98895 184.0
[M]- 326.99005 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