CID 23438036

364793-52-2

Structural Information

Molecular Formula
C10H5BrN2O
SMILES
C1=CC2=C(C=C1Br)C(=O)C(=CN2)C#N
InChI
InChI=1S/C10H5BrN2O/c11-7-1-2-9-8(3-7)10(14)6(4-12)5-13-9/h1-3,5H,(H,13,14)
InChIKey
HEKLYXFAPJNHEX-UHFFFAOYSA-N
Compound name
6-bromo-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

247.95853 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96581 142.5
[M+Na]+ 270.94775 157.9
[M-H]- 246.95125 145.6
[M+NH4]+ 265.99235 160.7
[M+K]+ 286.92169 144.1
[M+H-H2O]+ 230.95579 135.7
[M+HCOO]- 292.95673 160.6
[M+CH3COO]- 306.97238 155.8
[M+Na-2H]- 268.93320 150.7
[M]+ 247.95798 153.8
[M]- 247.95908 153.8
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

patents stripe