CID 113716367

6-(butan-2-yl)-4-chloro-3-nitroquinoline

Structural Information

Molecular Formula
C13H13ClN2O2
SMILES
CCC(C)C1=CC2=C(C(=CN=C2C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H13ClN2O2/c1-3-8(2)9-4-5-11-10(6-9)13(14)12(7-15-11)16(17)18/h4-8H,3H2,1-2H3
InChIKey
SDYGAHAYHKBWTN-UHFFFAOYSA-N
Compound name
6-butan-2-yl-4-chloro-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06656 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07384 154.6
[M+Na]+ 287.05578 170.7
[M+NH4]+ 282.10038 163.7
[M+K]+ 303.02972 165.4
[M-H]- 263.05928 158.7
[M+Na-2H]- 285.04123 161.4
[M]+ 264.06601 158.4
[M]- 264.06711 158.4
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.