CID 2762915

4-bromopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H4BrNO2
SMILES
C1=CN=CC(=C1Br)C(=O)O
InChI
InChI=1S/C6H4BrNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
InChIKey
CZLOEKRJQIAKFI-UHFFFAOYSA-N
Compound name
4-bromopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

200.94254 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.94982 129.3
[M+Na]+ 223.93176 141.4
[M-H]- 199.93526 133.5
[M+NH4]+ 218.97636 150.1
[M+K]+ 239.90570 131.0
[M+H-H2O]+ 183.93980 129.5
[M+HCOO]- 245.94074 149.3
[M+CH3COO]- 259.95639 178.2
[M+Na-2H]- 221.91721 137.8
[M]+ 200.94199 147.3
[M]- 200.94309 147.3
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