CID 81708726

8-bromo-4-chloro-7-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H6BrClN2
SMILES
CC1=C(C2=NC=C(C(=C2C=C1)Cl)C#N)Br
InChI
InChI=1S/C11H6BrClN2/c1-6-2-3-8-10(13)7(4-14)5-15-11(8)9(6)12/h2-3,5H,1H3
InChIKey
QBMIQPSJPFIRET-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-7-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.94028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94756 147.6
[M+Na]+ 302.92950 164.8
[M-H]- 278.93300 152.0
[M+NH4]+ 297.97410 166.6
[M+K]+ 318.90344 149.9
[M+H-H2O]+ 262.93754 141.5
[M+HCOO]- 324.93848 162.6
[M+CH3COO]- 338.95413 161.4
[M+Na-2H]- 300.91495 155.0
[M]+ 279.93973 162.3
[M]- 279.94083 162.3
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

No patent data available for this compound.