CID 118822622

1805526-27-5

Structural Information

Molecular Formula
C6H3BrN2O
SMILES
C1=C(C=C(NC1=O)C#N)Br
InChI
InChI=1S/C6H3BrN2O/c7-4-1-5(3-8)9-6(10)2-4/h1-2H,(H,9,10)
InChIKey
XVYZPRILZJCXFV-UHFFFAOYSA-N
Compound name
4-bromo-6-oxo-1H-pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.94289 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.950166 126.1
[M+Na]+ 220.932108 140.9
[M-H]- 196.935614 128.8
[M+NH4]+ 215.976713 145.1
[M+K]+ 236.906048 129.3
[M+H-H2O]+ 180.940150 119.5
[M+HCOO]- 242.941091 145.6
[M+CH3COO]- 256.956741 190.1
[M+Na-2H]- 218.917556 134.6
[M]+ 197.94234142 137.0
[M]- 197.94343858 137.0
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

No patent data available for this compound.