CID 29921601

2-(2-bromopyridin-4-yl)acetic acid

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1=CN=C(C=C1CC(=O)O)Br
InChI
InChI=1S/C7H6BrNO2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H,10,11)
InChIKey
SJFRXYCVLZOAEU-UHFFFAOYSA-N
Compound name
2-(2-bromopyridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

214.95819 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 133.9
[M+Na]+ 237.94741 145.7
[M-H]- 213.95091 138.0
[M+NH4]+ 232.99201 154.2
[M+K]+ 253.92135 135.0
[M+H-H2O]+ 197.95545 133.9
[M+HCOO]- 259.95639 153.6
[M+CH3COO]- 273.97204 181.1
[M+Na-2H]- 235.93286 141.9
[M]+ 214.95764 152.3
[M]- 214.95874 152.3
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