CID 67470126

4-chloro-6-iodo-3-nitroquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 150.0
[M+Na]+ 356.88982 153.0
[M-H]- 332.89332 146.5
[M+NH4]+ 351.93442 163.3
[M+K]+ 372.86376 150.8
[M+H-H2O]+ 316.89786 144.9
[M+HCOO]- 378.89880 164.4
[M+CH3COO]- 392.91445 191.3
[M+Na-2H]- 354.87527 147.5
[M]+ 333.90005 148.6
[M]- 333.90115 148.6
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