CID 102537313

8-bromo-5-quinolineacetic acid

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
C1=CC2=C(C=CC(=C2N=C1)Br)CC(=O)O
InChI
InChI=1S/C11H8BrNO2/c12-9-4-3-7(6-10(14)15)8-2-1-5-13-11(8)9/h1-5H,6H2,(H,14,15)
InChIKey
TUKLKOPUDGBWHM-UHFFFAOYSA-N
Compound name
2-(8-bromoquinolin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97385 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.981126 147.8
[M+Na]+ 287.963068 159.7
[M-H]- 263.966574 152.6
[M+NH4]+ 283.007673 167.2
[M+K]+ 303.937008 148.1
[M+H-H2O]+ 247.971110 147.5
[M+HCOO]- 309.972051 166.0
[M+CH3COO]- 323.987701 191.1
[M+Na-2H]- 285.948516 155.9
[M]+ 264.97330142 166.7
[M]- 264.97439858 166.7
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.