CID 112756645

6-bromo-4-chloro-8-methyl-1,7-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H5BrClN3
SMILES
CC1=C2C(=CC(=N1)Br)C(=C(C=N2)C#N)Cl
InChI
InChI=1S/C10H5BrClN3/c1-5-10-7(2-8(11)15-5)9(12)6(3-13)4-14-10/h2,4H,1H3
InChIKey
ZKUPKEYFGJYZFR-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-8-methyl-1,7-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.93555 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.94283 144.7
[M+Na]+ 303.92477 161.8
[M-H]- 279.92827 147.6
[M+NH4]+ 298.96937 162.2
[M+K]+ 319.89871 147.4
[M+H-H2O]+ 263.93281 137.7
[M+HCOO]- 325.93375 158.6
[M+CH3COO]- 339.94940 158.1
[M+Na-2H]- 301.91022 152.7
[M]+ 280.93500 159.3
[M]- 280.93610 159.3
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.