CID 124203352

3-bromo-6-chloroquinoline-8-carbonitrile

Structural Information

Molecular Formula
C10H4BrClN2
SMILES
C1=C2C=C(C=NC2=C(C=C1Cl)C#N)Br
InChI
InChI=1S/C10H4BrClN2/c11-8-1-6-2-9(12)3-7(4-13)10(6)14-5-8/h1-3,5H
InChIKey
PXPAVASZXYQFLA-UHFFFAOYSA-N
Compound name
3-bromo-6-chloroquinoline-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.92465 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93193 143.7
[M+Na]+ 288.91387 160.7
[M-H]- 264.91737 147.9
[M+NH4]+ 283.95847 162.9
[M+K]+ 304.88781 145.8
[M+H-H2O]+ 248.92191 137.6
[M+HCOO]- 310.92285 159.0
[M+CH3COO]- 324.93850 157.6
[M+Na-2H]- 286.89932 152.2
[M]+ 265.92410 157.8
[M]- 265.92520 157.8
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.