CID 616099

3-bromoquinoline-2-carbonitrile

Structural Information

Molecular Formula
C10H5BrN2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C#N)Br
InChI
InChI=1S/C10H5BrN2/c11-8-5-7-3-1-2-4-9(7)13-10(8)6-12/h1-5H
InChIKey
HBLOASAMGUFRQN-UHFFFAOYSA-N
Compound name
3-bromoquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

231.96361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.970886 138.6
[M+Na]+ 254.952828 153.7
[M-H]- 230.956334 142.7
[M+NH4]+ 249.997433 157.9
[M+K]+ 270.926768 140.6
[M+H-H2O]+ 214.960870 131.7
[M+HCOO]- 276.961811 157.8
[M+CH3COO]- 290.977461 152.5
[M+Na-2H]- 252.938276 148.1
[M]+ 231.96306142 150.7
[M]- 231.96415858 150.7
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