CID 12298825

2-(4-bromophenoxy)nicotinic acid

Structural Information

Molecular Formula
C12H8BrNO3
SMILES
C1=CC(=C(N=C1)OC2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C12H8BrNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKey
DHOSUUBWSIKQJP-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

292.96875 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97603 153.0
[M+Na]+ 315.95797 164.2
[M-H]- 291.96147 160.0
[M+NH4]+ 311.00257 170.0
[M+K]+ 331.93191 153.1
[M+H-H2O]+ 275.96601 151.8
[M+HCOO]- 337.96695 172.6
[M+CH3COO]- 351.98260 194.2
[M+Na-2H]- 313.94342 160.1
[M]+ 292.96820 172.4
[M]- 292.96930 172.4
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

patents stripe