CID 12032367

3-iodo-8-nitroquinoline

Structural Information

Molecular Formula
C9H5IN2O2
SMILES
C1=CC2=CC(=CN=C2C(=C1)[N+](=O)[O-])I
InChI
InChI=1S/C9H5IN2O2/c10-7-4-6-2-1-3-8(12(13)14)9(6)11-5-7/h1-5H
InChIKey
JTOBADNVHAZTAP-UHFFFAOYSA-N
Compound name
3-iodo-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

299.93958 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.94686 145.5
[M+Na]+ 322.92880 147.3
[M-H]- 298.93230 142.1
[M+NH4]+ 317.97340 159.1
[M+K]+ 338.90274 146.5
[M+H-H2O]+ 282.93684 139.4
[M+HCOO]- 344.93778 164.3
[M+CH3COO]- 358.95343 186.7
[M+Na-2H]- 320.91425 144.0
[M]+ 299.93903 141.8
[M]- 299.94013 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe