CID 124220306

4-chloro-7-iodo-3-nitroquinoline

Structural Information

Molecular Formula
C9H4ClIN2O2
SMILES
C1=CC2=C(C(=CN=C2C=C1I)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H4ClIN2O2/c10-9-6-2-1-5(11)3-7(6)12-4-8(9)13(14)15/h1-4H
InChIKey
UUWKNEPAGXBUGS-UHFFFAOYSA-N
Compound name
4-chloro-7-iodo-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.9006 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.90788 151.2
[M+Na]+ 356.88982 160.0
[M+NH4]+ 351.93442 156.2
[M+K]+ 372.86376 157.9
[M-H]- 332.89332 149.1
[M+Na-2H]- 354.87527 146.3
[M]+ 333.90005 151.1
[M]- 333.90115 151.1
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.