CID 203510

B(sub 67)

Structural Information

Molecular Formula
C13H10BrNO3
SMILES
C1=CC=C(C(=C1)CN2C=CC=C(C2=O)C(=O)O)Br
InChI
InChI=1S/C13H10BrNO3/c14-11-6-2-1-4-9(11)8-15-7-3-5-10(12(15)16)13(17)18/h1-7H,8H2,(H,17,18)
InChIKey
HVFCCWZCNNLGNA-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.9844 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99168 156.2
[M+Na]+ 329.97362 161.1
[M+NH4]+ 325.01822 159.8
[M+K]+ 345.94756 161.1
[M-H]- 305.97712 157.3
[M+Na-2H]- 327.95907 160.9
[M]+ 306.98385 156.0
[M]- 306.98495 156.0
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